Diff of the two buildlogs:

--
--- b1/build.log	2025-03-11 00:17:25.134879228 +0000
+++ b2/build.log	2025-03-11 00:35:37.889532832 +0000
@@ -1,6 +1,6 @@
 I: pbuilder: network access will be disabled during build
-I: Current time: Mon Mar 10 10:48:06 -12 2025
-I: pbuilder-time-stamp: 1741646886
+I: Current time: Mon Apr 13 20:40:27 +14 2026
+I: pbuilder-time-stamp: 1776062427
 I: Building the build Environment
 I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz]
 I: copying local configuration
@@ -35,52 +35,84 @@
 dpkg-source: info: applying disable_riscv64_timeout_tests.patch
 I: Not using root during the build.
 I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/505074/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos15-amd64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Apr 13 06:40 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/D02_print_environment starting
 I: set
-  BUILDDIR='/build/reproducible-path'
-  BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
-  BUILDUSERNAME='pbuilder1'
-  BUILD_ARCH='amd64'
-  DEBIAN_FRONTEND='noninteractive'
-  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 '
-  DISTRIBUTION='unstable'
-  HOME='/root'
-  HOST_ARCH='amd64'
+  BASH=/bin/sh
+  BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+  BASH_ALIASES=()
+  BASH_ARGC=()
+  BASH_ARGV=()
+  BASH_CMDS=()
+  BASH_LINENO=([0]="12" [1]="0")
+  BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+  BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+  BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu")
+  BASH_VERSION='5.2.37(1)-release'
+  BUILDDIR=/build/reproducible-path
+  BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+  BUILDUSERNAME=pbuilder2
+  BUILD_ARCH=amd64
+  DEBIAN_FRONTEND=noninteractive
+  DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 '
+  DIRSTACK=()
+  DISTRIBUTION=unstable
+  EUID=0
+  FUNCNAME=([0]="Echo" [1]="main")
+  GROUPS=()
+  HOME=/root
+  HOSTNAME=i-capture-the-hostname
+  HOSTTYPE=x86_64
+  HOST_ARCH=amd64
   IFS=' 	
   '
-  INVOCATION_ID='5d7f0759d1cc420496e4d38fff424fa2'
-  LANG='C'
-  LANGUAGE='en_US:en'
-  LC_ALL='C'
-  MAIL='/var/mail/root'
-  OPTIND='1'
-  PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games'
-  PBCURRENTCOMMANDLINEOPERATION='build'
-  PBUILDER_OPERATION='build'
-  PBUILDER_PKGDATADIR='/usr/share/pbuilder'
-  PBUILDER_PKGLIBDIR='/usr/lib/pbuilder'
-  PBUILDER_SYSCONFDIR='/etc'
-  PPID='505074'
-  PS1='# '
-  PS2='> '
+  INVOCATION_ID=dac2eb936ceb40ddbeea316f507bc3b9
+  LANG=C
+  LANGUAGE=et_EE:et
+  LC_ALL=C
+  MACHTYPE=x86_64-pc-linux-gnu
+  MAIL=/var/mail/root
+  OPTERR=1
+  OPTIND=1
+  OSTYPE=linux-gnu
+  PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path
+  PBCURRENTCOMMANDLINEOPERATION=build
+  PBUILDER_OPERATION=build
+  PBUILDER_PKGDATADIR=/usr/share/pbuilder
+  PBUILDER_PKGLIBDIR=/usr/lib/pbuilder
+  PBUILDER_SYSCONFDIR=/etc
+  PIPESTATUS=([0]="0")
+  POSIXLY_CORRECT=y
+  PPID=1577124
   PS4='+ '
-  PWD='/'
-  SHELL='/bin/bash'
-  SHLVL='2'
-  SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.bRIfkuY1/pbuilderrc_7hPi --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.bRIfkuY1/b1 --logfile b1/build.log rdkit_202409.6-2.dsc'
-  SUDO_GID='111'
-  SUDO_UID='106'
-  SUDO_USER='jenkins'
-  TERM='unknown'
-  TZ='/usr/share/zoneinfo/Etc/GMT+12'
-  USER='root'
-  _='/usr/bin/systemd-run'
-  http_proxy='http://46.16.76.132:3128'
+  PWD=/
+  SHELL=/bin/bash
+  SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+  SHLVL=3
+  SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.bRIfkuY1/pbuilderrc_Rahy --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.bRIfkuY1/b2 --logfile b2/build.log rdkit_202409.6-2.dsc'
+  SUDO_GID=111
+  SUDO_UID=106
+  SUDO_USER=jenkins
+  TERM=unknown
+  TZ=/usr/share/zoneinfo/Etc/GMT-14
+  UID=0
+  USER=root
+  _='I: set'
+  http_proxy=http://213.165.73.152:3128
 I: uname -a
-  Linux ionos11-amd64 6.1.0-31-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.128-1 (2025-02-07) x86_64 GNU/Linux
+  Linux i-capture-the-hostname 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux
 I: ls -l /bin
-  lrwxrwxrwx 1 root root 7 Mar  4 11:20 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/505074/tmp/hooks/D02_print_environment finished
+  lrwxrwxrwx 1 root root 7 Mar  4  2025 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/D02_print_environment finished
  -> Attempting to satisfy build-dependencies
  -> Creating pbuilder-satisfydepends-dummy package
 Package: pbuilder-satisfydepends-dummy
@@ -572,7 +604,7 @@
 Get: 367 http://deb.debian.org/debian unstable/main amd64 texlive-latex-recommended all 2024.20250114-1 [8760 kB]
 Get: 368 http://deb.debian.org/debian unstable/main amd64 texlive-pictures all 2024.20250114-1 [17.1 MB]
 Get: 369 http://deb.debian.org/debian unstable/main amd64 texlive-latex-extra all 2024.20250114-1 [24.7 MB]
-Fetched 419 MB in 32s (13.0 MB/s)
+Fetched 419 MB in 6s (71.8 MB/s)
 Preconfiguring packages ...
 Selecting previously unselected package m4.
 (Reading database ... 
(Reading database ... 5%
(Reading database ... 10%
(Reading database ... 15%
(Reading database ... 20%
(Reading database ... 25%
(Reading database ... 30%
(Reading database ... 35%
(Reading database ... 40%
(Reading database ... 45%
(Reading database ... 50%
(Reading database ... 55%
(Reading database ... 60%
(Reading database ... 65%
(Reading database ... 70%
(Reading database ... 75%
(Reading database ... 80%
(Reading database ... 85%
(Reading database ... 90%
(Reading database ... 95%
(Reading database ... 100%
(Reading database ... 19783 files and directories currently installed.)
@@ -1758,8 +1790,8 @@
 Setting up tzdata (2025a-2) ...
 
 Current default time zone: 'Etc/UTC'
-Local time is now:      Mon Mar 10 22:56:12 UTC 2025.
-Universal Time is now:  Mon Mar 10 22:56:12 UTC 2025.
+Local time is now:      Mon Apr 13 06:42:06 UTC 2026.
+Universal Time is now:  Mon Apr 13 06:42:06 UTC 2026.
 Run 'dpkg-reconfigure tzdata' if you wish to change it.
 
 Setting up libboost-atomic1.83.0:amd64 (1.83.0-4.1+b1) ...
@@ -2143,7 +2175,11 @@
 Building tag database...
  -> Finished parsing the build-deps
 I: Building the package
-I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for unstable
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/rdkit-202409.6/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S  > ../rdkit_202409.6-2_source.changes
 dpkg-buildpackage: info: source package rdkit
 dpkg-buildpackage: info: source version 202409.6-2
 dpkg-buildpackage: info: source distribution unstable
@@ -2267,8 +2303,8 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (9.8s)
--- Generating done (5.6s)
+-- Configuring done (1.8s)
+-- Generating done (1.1s)
 CMake Warning:
   Manually-specified variables were not used by the project:
 
@@ -2329,14 +2365,14 @@
   command to set the policy and suppress this warning.
 This warning is for project developers.  Use -Wno-dev to suppress it.
 
--- Configuring done (2.9s)
+-- Configuring done (0.7s)
 -- Generating done (0.0s)
 -- Build files have been written to: /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/build-17
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    debian/rules override_dh_auto_build
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_auto_build
-	cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1
+	cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6 -B/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//CMakeFiles/progress.marks
@@ -2344,95 +2380,95 @@
 make[3]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/depend
 make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/depend
+make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake "--color="
+make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
+make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/CMakeFiles/coordgen_support.dir/DependInfo.cmake "--color="
+make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/RingFamilies /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/RingFamilies /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/DependInfo.cmake "--color="
-make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/depend
+make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/GA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA/CMakeFiles/ga.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/rdkitCatch.dir/DependInfo.cmake "--color="
-make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDStreams /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDStreams/CMakeFiles/RDStreams.dir/DependInfo.cmake "--color="
-make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Nothing to be done for 'External/CoordGen/CMakeFiles/coordgen_support.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/build
+make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f External/CoordGen/CMakeFiles/coordgen_support.dir/build.make External/CoordGen/CMakeFiles/coordgen_support.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build
 make  -f Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build.make Code/RDGeneral/CMakeFiles/rdkitCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E copy /build/reproducible-path/rdkit-202409.6/External/INCHI-API/python/inchi.py /build/reproducible-path/rdkit-202409.6/rdkit/Chem/inchi.py
+make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build.make External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build
+make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Nothing to be done for 'External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Nothing to be done for 'External/CoordGen/CMakeFiles/coordgen_support.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E copy /build/reproducible-path/rdkit-202409.6/External/INCHI-API/python/inchi.py /build/reproducible-path/rdkit-202409.6/rdkit/Chem/inchi.py
-[  0%] Built target coordgen_support
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o
-[  0%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -MF CMakeFiles/ga.dir/ga/StringChromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/StringChromosome.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_main.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/IntegerStringChromosomePolicy.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Nothing to be done for 'External/RingFamilies/CMakeFiles/ringdecomposerlib_support.dir/build'.
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/build
-[  0%] Built target ringdecomposerlib_support
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/Chromosome.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build
+make  -f External/GA/CMakeFiles/ga.dir/build.make External/GA/CMakeFiles/ga.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDStreams/CMakeFiles/RDStreams.dir/build.make Code/RDStreams/CMakeFiles/RDStreams.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/RandomUtil.cpp
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o
-[  0%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o
-[  0%] Built target inchi_support
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/BinaryStringChromosomePolicy.cpp
-[  0%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/Util.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/hc.c
-[  0%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o
-[  0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDStreams && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RDSTREAMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRDStreams_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o -MF CMakeFiles/RDStreams.dir/streams.cpp.o.d -o CMakeFiles/RDStreams.dir/streams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDStreams/streams.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.cpp
+[  0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o
+[  0%] Built target coordgen_support
+[  0%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o
+[  1%] Building CXX object Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
 [  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o
+[  1%] Built target ringdecomposerlib_support
+[  1%] Building CXX object Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o
+[  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -MF CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDGeneralExceptions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDGeneralExceptions.cpp
 [  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o
-[  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/LocaleSwitcher.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDStreams && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RDSTREAMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRDStreams_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDStreams/CMakeFiles/RDStreams.dir/streams.cpp.o -MF CMakeFiles/RDStreams.dir/streams.cpp.o.d -o CMakeFiles/RDStreams.dir/streams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDStreams/streams.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -MF CMakeFiles/rdkitCatch.dir/catch_main.cpp.o.d -o CMakeFiles/rdkitCatch.dir/catch_main.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_main.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hc.c.o -MF CMakeFiles/hc.dir/hc.c.o.d -o CMakeFiles/hc.dir/hc.c.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/hc.c
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/types.cpp.o -MF CMakeFiles/RDGeneral.dir/types.cpp.o.d -o CMakeFiles/RDGeneral.dir/types.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/types.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/utils.cpp.o -MF CMakeFiles/RDGeneral.dir/utils.cpp.o.d -o CMakeFiles/RDGeneral.dir/utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/utils.cpp
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/Chromosome.cpp.o -MF CMakeFiles/ga.dir/ga/Chromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/Chromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/Chromosome.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDLog.cpp
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/versions.cpp.o -MF CMakeFiles/RDGeneral.dir/versions.cpp.o.d -o CMakeFiles/RDGeneral.dir/versions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/versions.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/BinaryStringChromosomePolicy.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -MF CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o.d -o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/IntegerStringChromosomePolicy.cpp
+[  1%] Building C object Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_HC_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dhc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o -MF CMakeFiles/hc.dir/hcdriver.c.o.d -o CMakeFiles/hc.dir/hcdriver.c.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/hcdriver.c
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o
-[  1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/Invariant.cpp.o -MF CMakeFiles/RDGeneral.dir/Invariant.cpp.o.d -o CMakeFiles/RDGeneral.dir/Invariant.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/Invariant.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o -MF CMakeFiles/RDGeneral.dir/RDLog.cpp.o.d -o CMakeFiles/RDGeneral.dir/RDLog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/RDLog.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeneral_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGENERAL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_BOOST_STACKTRACE -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDGeneral/CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -MF CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o.d -o CMakeFiles/RDGeneral.dir/LocaleSwitcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/LocaleSwitcher.cpp
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o
+[  1%] Building CXX object External/GA/CMakeFiles/ga.dir/util/Util.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -MF CMakeFiles/ga.dir/ga/StringChromosome.cpp.o.d -o CMakeFiles/ga.dir/ga/StringChromosome.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/ga/StringChromosome.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/RandomUtil.cpp.o -MF CMakeFiles/ga.dir/util/RandomUtil.cpp.o.d -o CMakeFiles/ga.dir/util/RandomUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/RandomUtil.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Dga_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/GA/CMakeFiles/ga.dir/util/Util.cpp.o -MF CMakeFiles/ga.dir/util/Util.cpp.o.d -o CMakeFiles/ga.dir/util/Util.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/GA/util/Util.cpp
+[  1%] Built target inchi_support
 [  1%] Linking C shared library ../../../../lib/libRDKithc.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1
 /usr/bin/cc -fPIC -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -Wl,--dependency-file=CMakeFiles/hc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKithc.so.1 -o ../../../../lib/libRDKithc.so.1.2024.09.6 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o  /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
@@ -2444,9 +2480,9 @@
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ga.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitga.so.1 -o ../../lib/libRDKitga.so.1.2024.09.6 CMakeFiles/ga.dir/ga/StringChromosome.cpp.o CMakeFiles/ga.dir/ga/Chromosome.cpp.o CMakeFiles/ga.dir/ga/IntegerStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/ga/BinaryStringChromosomePolicy.cpp.o CMakeFiles/ga.dir/util/RandomUtil.cpp.o CMakeFiles/ga.dir/util/Util.cpp.o  /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/GA && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitga.so.1.2024.09.6 ../../lib/libRDKitga.so.1 ../../lib/libRDKitga.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  2%] Built target ga
 [  2%] Linking CXX static library librdkitCatch.a
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -P CMakeFiles/rdkitCatch.dir/cmake_clean_target.cmake
+[  2%] Built target ga
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkitCatch.dir/link.txt --verbose=1
 /usr/bin/ar qc librdkitCatch.a CMakeFiles/rdkitCatch.dir/catch_main.cpp.o
 /usr/bin/ranlib librdkitCatch.a
@@ -2465,183 +2501,188 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  2%] Built target RDGeneral
 make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/DataStructs.dir/DependInfo.cmake "--color="
 make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend
 make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake "--color="
 make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend
 make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/DataStructs.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake "--color="
 make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake "--color="
 make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake "--color="
 make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/testRDValue.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral/CMakeFiles/logTestsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake "--color="
-make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake "--color="
 make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake "--color="
+make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Query /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/CMakeFiles/testQuery.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/DependInfo.cmake "--color="
-make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/build
+make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build
 make  -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/testRDValue.dir/build.make Code/RDGeneral/CMakeFiles/testRDValue.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build
+make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build.make Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/build
+make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build.make Code/RDGeneral/CMakeFiles/logTestsCatch.dir/build
+make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/SparseBitVect.cpp
-[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitVect.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/build
+[  2%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
+[  2%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o
 make  -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDBoost_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDBOOST_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
+[  2%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o
+[  2%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/SparseBitVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -MF CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o.d -o CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_dict.cpp
 [  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/ExplicitBitVect.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
+[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o
+[  3%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
 [  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o -MF CMakeFiles/DataStructs.dir/Utils.cpp.o.d -o CMakeFiles/DataStructs.dir/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Utils.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/base64.cpp.o -MF CMakeFiles/DataStructs.dir/base64.cpp.o.d -o CMakeFiles/DataStructs.dir/base64.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/base64.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o -MF CMakeFiles/DataStructs.dir/BitOps.cpp.o.d -o CMakeFiles/DataStructs.dir/BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitOps.cpp
-[  3%] Building CXX object Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o
-[  3%] Building CXX object Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteValueVect.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DEigenSolvers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_EIGENSOLVERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -MF CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o.d -o CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers/PowerEigenSolver.cpp
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDBoost_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDBOOST_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/python3.13 -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/CMakeFiles/RDBoost.dir/Wrap.cpp.o -MF CMakeFiles/RDBoost.dir/Wrap.cpp.o.d -o CMakeFiles/RDBoost.dir/Wrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteDistMat.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -MF CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o.d -o CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_dict.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o -MF CMakeFiles/testDict.dir/testDict.cpp.o.d -o CMakeFiles/testDict.dir/testDict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testDict.cpp
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o
 [  3%] Building CXX object Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o
-[  3%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
-[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o -MF CMakeFiles/testMatrices.dir/testMatrices.cpp.o.d -o CMakeFiles/testMatrices.dir/testMatrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testMatrices.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testConcurrentQueue.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -MF CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/ExplicitBitVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testDict.dir/testDict.cpp.o -MF CMakeFiles/testDict.dir/testDict.cpp.o.d -o CMakeFiles/testDict.dir/testDict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testDict.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testRDValue.dir/testRDValue.cpp.o -MF CMakeFiles/testRDValue.dir/testRDValue.cpp.o.d -o CMakeFiles/testRDValue.dir/testRDValue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testRDValue.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitOps.cpp.o -MF CMakeFiles/DataStructs.dir/BitOps.cpp.o.d -o CMakeFiles/DataStructs.dir/BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitOps.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Query/CMakeFiles/testQuery.dir/test.cpp.o -MF CMakeFiles/testQuery.dir/test.cpp.o.d -o CMakeFiles/testQuery.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Query/test.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -MF CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o.d -o CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/catch_logs.cpp
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o
+[  3%] Building CXX object Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/BitVect.cpp.o -MF CMakeFiles/DataStructs.dir/BitVect.cpp.o.d -o CMakeFiles/DataStructs.dir/BitVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/BitVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/Utils.cpp.o -MF CMakeFiles/DataStructs.dir/Utils.cpp.o.d -o CMakeFiles/DataStructs.dir/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Utils.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/RDGeneral/CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -MF CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o.d -o CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDGeneral/testConcurrentQueue.cpp
+[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
 [  3%] Building CXX object Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o
-[  3%] Building CXX object Code/Query/CMakeFiles/testQuery.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Query/CMakeFiles/testQuery.dir/test.cpp.o -MF CMakeFiles/testQuery.dir/test.cpp.o.d -o CMakeFiles/testQuery.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Query/test.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -MF CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o.d -o CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
+[  3%] Building CXX object Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o
 [  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testMatrices.dir/testMatrices.cpp.o -MF CMakeFiles/testMatrices.dir/testMatrices.cpp.o.d -o CMakeFiles/testMatrices.dir/testMatrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testMatrices.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -MF CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o.d -o CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/testMatCalc.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/DistPicker.cpp
-[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/Catalog.cpp.o -MF CMakeFiles/Catalogs.dir/Catalog.cpp.o.d -o CMakeFiles/Catalogs.dir/Catalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/Catalog.cpp
-[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/FPBReader.cpp
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteDistMat.cpp
 [  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/DiscreteValueVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/RealValueVect.cpp
+[  3%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
+[  3%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/MultiFPBReader.cpp
-[  3%] Linking CXX executable testConcurrentQueue
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConcurrentQueue.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConcurrentQueue.dir/link.d CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -o testConcurrentQueue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  3%] Built target testConcurrentQueue
-[  3%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
+[  4%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/FPBReader.cpp.o -MF CMakeFiles/DataStructs.dir/FPBReader.cpp.o.d -o CMakeFiles/DataStructs.dir/FPBReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/FPBReader.cpp
+[  4%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
+[  4%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogEntry.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/MaxMinPicker.cpp
-[  4%] Linking CXX executable testMatCalc
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
+[  5%] Linking CXX executable testMatCalc
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatCalc.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatCalc.dir/link.d CMakeFiles/testMatCalc.dir/testMatCalc.cpp.o -o testMatCalc  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  4%] Built target testMatCalc
-[  4%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SIMDIVPICKERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/HierarchicalClusterPicker.cpp
-[  4%] Building CXX object Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDataStructs_EXPORTS -DRDKIT_DATASTRUCTS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/DataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/RealValueVect.cpp
-[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogParams.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogParams.cpp
+[  5%] Built target testMatCalc
+[  5%] Linking CXX executable testConcurrentQueue
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConcurrentQueue.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConcurrentQueue.dir/link.d CMakeFiles/testConcurrentQueue.dir/testConcurrentQueue.cpp.o -o testConcurrentQueue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  5%] Built target testConcurrentQueue
 [  5%] Linking CXX shared library ../../../lib/libRDKitEigenSolvers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_link_script CMakeFiles/EigenSolvers.dir/link.txt --verbose=1
-[  5%] Building CXX object Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCatalogs_EXPORTS -DRDKIT_CATALOGS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Catalogs/CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -MF CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o.d -o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Catalogs/CatalogEntry.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/EigenSolvers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitEigenSolvers.so.1 -o ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 CMakeFiles/EigenSolvers.dir/PowerEigenSolver.cpp.o  ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/EigenSolvers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1 ../../../lib/libRDKitEigenSolvers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  5%] Built target EigenSolvers
-[  5%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  5%] Built target Catalogs
-[  6%] Linking CXX executable logTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/logTestsCatch.dir/link.txt --verbose=1
-[  6%] Linking CXX executable testMatrices
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1
-[  7%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
+[  6%] Linking CXX shared library ../../lib/libRDKitSimDivPickers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/logTestsCatch.dir/link.d CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -o logTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatrices.dir/link.d CMakeFiles/testMatrices.dir/testMatrices.cpp.o -o testMatrices  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-[  7%] Built target logTestsCatch
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  7%] Built target testMatrices
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSimDivPickers.so.1 -o ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o  ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitSimDivPickers.so.1 ../../lib/libRDKitSimDivPickers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  7%] Built target SimDivPickers
+[  6%] Built target SimDivPickers
 make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  8%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
+[  7%] Building CXX object Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -MF CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o.d -o CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/testPickers.cpp
+[  7%] Linking CXX shared library ../../lib/libRDKitCatalogs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Catalogs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCatalogs.so.1 -o ../../lib/libRDKitCatalogs.so.1.2024.09.6 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../lib/libRDKitCatalogs.so.1 ../../lib/libRDKitCatalogs.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  7%] Built target Catalogs
+[  8%] Linking CXX executable logTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/logTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/logTestsCatch.dir/link.d CMakeFiles/logTestsCatch.dir/catch_logs.cpp.o -o logTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  8%] Built target logTestsCatch
+[  8%] Linking CXX executable testMatrices
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMatrices.dir/link.txt --verbose=1
+[  8%] Linking CXX executable testQuery
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMatrices.dir/link.d CMakeFiles/testMatrices.dir/testMatrices.cpp.o -o testMatrices  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  8%] Built target testMatrices
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  8%] Built target testQuery
 [  8%] Linking CXX shared library ../../lib/libRDKitRDBoost.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDBoost.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDBoost.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDBoost.so.1 -o ../../lib/libRDKitRDBoost.so.1.2024.09.6 CMakeFiles/RDBoost.dir/Wrap.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
@@ -2649,35 +2690,30 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  8%] Built target RDBoost
 make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake "--color="
 make  -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  9%] Building CXX object Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o
 [  9%] Building CXX object Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdBase_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/RDBase.cpp.o -MF CMakeFiles/rdBase.dir/RDBase.cpp.o.d -o CMakeFiles/rdBase.dir/RDBase.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/RDBoost/Wrap/RDBase.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DClustering_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/Clustering.cpp.o -MF CMakeFiles/Clustering.dir/Clustering.cpp.o.d -o CMakeFiles/Clustering.dir/Clustering.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Cluster/Murtagh/Clustering.cpp
 [  9%] Linking CXX executable dictTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/dictTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/dictTestsCatch.dir/link.d CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -o dictTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  9%] Built target dictTestsCatch
-[  9%] Linking CXX executable testQuery
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query && /usr/bin/cmake -E cmake_link_script CMakeFiles/testQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testQuery.dir/link.d CMakeFiles/testQuery.dir/test.cpp.o -o testQuery  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  9%] Built target testQuery
 [  9%] Linking CXX shared library ../../lib/libRDKitDataStructs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/DataStructs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDataStructs.so.1 -o ../../lib/libRDKitDataStructs.so.1.2024.09.6 CMakeFiles/DataStructs.dir/BitVect.cpp.o CMakeFiles/DataStructs.dir/SparseBitVect.cpp.o CMakeFiles/DataStructs.dir/ExplicitBitVect.cpp.o CMakeFiles/DataStructs.dir/Utils.cpp.o CMakeFiles/DataStructs.dir/base64.cpp.o CMakeFiles/DataStructs.dir/BitOps.cpp.o CMakeFiles/DataStructs.dir/DiscreteDistMat.cpp.o CMakeFiles/DataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/DataStructs.dir/FPBReader.cpp.o CMakeFiles/DataStructs.dir/MultiFPBReader.cpp.o CMakeFiles/DataStructs.dir/RealValueVect.cpp.o  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1 ../../lib/libRDKitDataStructs.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/dictTestsCatch.dir/link.d CMakeFiles/dictTestsCatch.dir/catch_dict.cpp.o -o dictTestsCatch  librdkitCatch.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[  9%] Built target dictTestsCatch
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [  9%] Built target DataStructs
 make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend
@@ -2685,342 +2721,333 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake "--color="
 make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/depend
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
+make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend
+make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testFPB.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testFPB.dir/DependInfo.cmake "--color="
-make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testMultiFPB.dir/DependInfo.cmake "--color="
-make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/catchDataStructs.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/CMakeFiles/testMultiFPB.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake "--color="
-make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake "--color="
 make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  9%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
-make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/testFPB.dir/build.make Code/DataStructs/CMakeFiles/testFPB.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/CMakeFiles/testMultiFPB.dir/build.make Code/DataStructs/CMakeFiles/testMultiFPB.dir/build
 make  -f Code/DataStructs/CMakeFiles/catchDataStructs.dir/build.make Code/DataStructs/CMakeFiles/catchDataStructs.dir/build
-make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend
-[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
-[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
-[  9%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
+make  -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.cpp
 make  -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
-[ 10%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
-[ 11%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -MF CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o.d -o CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/catch_tests.cpp
-[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
-[ 11%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
 make  -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -MF CMakeFiles/cDataStructs.dir/DataStructs.cpp.o.d -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DataStructs.cpp
-[ 11%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/catch_tests.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -MF CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build.make Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build
+[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
-[ 11%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o
+[  9%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o
+[  9%] Building CXX object Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -MF CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o.d -o CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testDatastructs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -MF CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o.d -o CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testMultiFPB.cpp
+[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o
+[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform3D.cpp
+[ 10%] Building CXX object Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMetricMatrixCalc_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -MF CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o.d -o CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/rdMetricMatrixCalc.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformGrid3D.cpp
+[ 10%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o
+[ 10%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
+[ 10%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o
+[ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o
+[ 10%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/SimDivPickers/CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/catch_tests.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/MaxMinPicker.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/InfoBitRanker.cpp
-[ 11%] Linking CXX executable testSimDivPickers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSimDivPickers.dir/link.d CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers  ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 11%] Built target testSimDivPickers
-[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DiscreteValueVect.cpp
-[ 11%] Linking CXX executable testRDValue
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDValue.dir/link.d CMakeFiles/testRDValue.dir/testRDValue.cpp.o -o testRDValue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 11%] Built target testRDValue
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/point.cpp.o -MF CMakeFiles/RDGeometryLib.dir/point.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/point.cpp
+[ 11%] Building CXX object Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o
+[ 11%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o
+[ 11%] Building CXX object Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -MF CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o.d -o CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -MF CMakeFiles/cDataStructs.dir/DataStructs.cpp.o.d -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DataStructs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/UniformRealValueGrid3D.cpp
+[ 11%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DataStructs/CMakeFiles/testFPB.dir/testFPB.cpp.o -MF CMakeFiles/testFPB.dir/testFPB.cpp.o.d -o CMakeFiles/testFPB.dir/testFPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/testFPB.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -MF CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Transform2D.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/LeaderPicker.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDGeometryLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDGEOMETRYLIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -MF CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o.d -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/GridUtils.cpp
 [ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/SparseIntVect.cpp
-[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/RealValueVect.cpp
-[ 11%] Linking CXX executable catchDataStructs
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/catchDataStructs.dir/link.txt --verbose=1
+[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
+[ 11%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
 [ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_SparseBV.cpp
-[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
+[ 12%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_ExplicitBV.cpp
-[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o
+[ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_BitOps.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/catchDataStructs.dir/link.d CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -o catchDataStructs  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 12%] Built target catchDataStructs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
 [ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_FPB.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -MF CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/SparseIntVect.cpp
 [ 12%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o
+[ 12%] Building CXX object Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -MF CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o.d -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/DiscreteValueVect.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DInfoTheory_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_INFOTHEORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/InfoBitRanker.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_FPB.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcDataStructs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -MF CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o.d -o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DataStructs/Wrap/wrap_Utils.cpp
-[ 12%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
+[ 12%] Linking CXX executable testSimDivPickers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSimDivPickers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSimDivPickers.dir/link.d CMakeFiles/testSimDivPickers.dir/testPickers.cpp.o -o testSimDivPickers  ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 12%] Built target testSimDivPickers
+[ 12%] Linking CXX executable testDict
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDict.dir/link.txt --verbose=1
 [ 13%] Linking CXX shared library ../../../lib/libRDKitInfoTheory.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_link_script CMakeFiles/InfoTheory.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeometryLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Built target RDGeometryLib
-make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/GraphMol.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDict.dir/link.d CMakeFiles/testDict.dir/testDict.cpp.o -o testDict  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o -MF CMakeFiles/GraphMol.dir/Atom.cpp.o.d -o CMakeFiles/GraphMol.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Atom.cpp
+[ 13%] Built target testDict
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/InfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitInfoTheory.so.1 -o ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 CMakeFiles/InfoTheory.dir/InfoBitRanker.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitInfoTheory.so.1 ../../../lib/libRDKitInfoTheory.so
+[ 13%] Linking CXX executable catchDataStructs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/catchDataStructs.dir/link.txt --verbose=1
+[ 13%] Linking CXX executable testRDValue
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDValue.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 13%] Built target InfoTheory
-make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend
+make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/depend
+make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.cpp
-[ 13%] Linking CXX executable testDict
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDGeneral && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDict.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDict.dir/link.d CMakeFiles/testDict.dir/testDict.cpp.o -o testDict  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Built target testDict
-make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
+make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build
+make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testTransforms.cpp
-[ 13%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 13%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcQuantize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Data/cQuantize.cpp
+[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
+[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
+[ 13%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDValue.dir/link.d CMakeFiles/testRDValue.dir/testRDValue.cpp.o -o testRDValue  ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Built target Clustering
-make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color="
+[ 13%] Built target testRDValue
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/catchDataStructs.dir/link.d CMakeFiles/catchDataStructs.dir/catch_tests.cpp.o -o catchDataStructs  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 13%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testGrid.cpp
+[ 13%] Built target catchDataStructs
 [ 14%] Linking CXX executable pickersTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickersTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickersTestsCatch.dir/link.d CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 14%] Linking CXX shared library ../../lib/libRDKitRDGeometryLib.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDGeometryLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDGeometryLib.so.1 -o ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1 ../../lib/libRDKitRDGeometryLib.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Built target pickersTestsCatch
-make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/depend
+[ 14%] Built target RDGeometryLib
+make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend
+make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testRealValueGrid.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/build
+make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Building CXX object Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -MF CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o.d -o CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testRealValueGrid.cpp
-[ 14%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
-[ 14%] Linking CXX executable testMultiFPB
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultiFPB.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o  ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultiFPB.dir/link.d CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -o testMultiFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Built target rdMetricMatrixCalc
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake "--color="
+make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/GraphMol.dir/DependInfo.cmake "--color="
+make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/depend
 make  -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/geometryTestsCatch.dir/DependInfo.cmake "--color="
-[ 14%] Built target testMultiFPB
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.cpp
-[ 14%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/catch_tests.cpp
-[ 14%] Linking CXX executable testFPB
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
-[ 14%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFPB.dir/link.d CMakeFiles/testFPB.dir/testFPB.cpp.o -o testFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Built target testFPB
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/geometryTestsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o -MF CMakeFiles/rdGeometry.dir/Point.cpp.o.d -o CMakeFiles/rdGeometry.dir/Point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/Point.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Alignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2024.09.6 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Built target Alignment
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/CMakeFiles/testRealValueGrid.dir/DependInfo.cmake "--color="
 make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/depend
+make  -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/CMakeFiles/testConrec.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/build
+make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 14%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testConrec.cpp
-[ 15%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformGrid3D.cpp
-[ 15%] Linking CXX executable testGrid
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 15%] Built target testGrid
-make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Features /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/CMakeFiles/testBaseFeatures.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/testAlignment.cpp
-make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend
+make  -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
-[ 16%] Linking CXX executable testTransforms
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTransforms.dir/link.d CMakeFiles/testTransforms.dir/testTransforms.cpp.o -o testTransforms  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Built target testTransforms
-make  -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Features /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/CMakeFiles/testBaseFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/build
+make  -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/build
+make  -f Code/Geometry/CMakeFiles/testRealValueGrid.dir/build.make Code/Geometry/CMakeFiles/testRealValueGrid.dir/build
+make  -f Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build.make Code/Geometry/CMakeFiles/geometryTestsCatch.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Features/testFeatures.cpp
-[ 16%] Linking CXX executable testRealValueGrid
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
-make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build
+make  -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -MF CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/InfoBitRanker.cpp
-[ 16%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/LeaderPicker.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRealValueGrid.dir/link.d CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -o testRealValueGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Built target testRealValueGrid
-make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DcQuantize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/Data/CMakeFiles/cQuantize.dir/cQuantize.cpp.o -MF CMakeFiles/cQuantize.dir/cQuantize.cpp.o.d -o CMakeFiles/cQuantize.dir/cQuantize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/Data/cQuantize.cpp
-[ 16%] Linking CXX executable geometryTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/geometryTestsCatch.dir/link.d CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Built target geometryTestsCatch
-make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend
+make  -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickersTestsCatch.dir/link.d CMakeFiles/pickersTestsCatch.dir/catch_tests.cpp.o -o pickersTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKithc.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/CMakeFiles/testConrec.dir/build.make Code/Numerics/CMakeFiles/testConrec.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 16%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Features/CMakeFiles/testBaseFeatures.dir/build.make Code/Features/CMakeFiles/testBaseFeatures.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o
+[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/Point.cpp.o -MF CMakeFiles/rdGeometry.dir/Point.cpp.o.d -o CMakeFiles/rdGeometry.dir/Point.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/Point.cpp
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o
+[ 14%] Building CXX object Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Atom.cpp.o -MF CMakeFiles/GraphMol.dir/Atom.cpp.o.d -o CMakeFiles/GraphMol.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Atom.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testTransforms.dir/testTransforms.cpp.o -MF CMakeFiles/testTransforms.dir/testTransforms.cpp.o.d -o CMakeFiles/testTransforms.dir/testTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testTransforms.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testGrid.dir/testGrid.cpp.o -MF CMakeFiles/testGrid.dir/testGrid.cpp.o.d -o CMakeFiles/testGrid.dir/testGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testGrid.cpp
+[ 14%] Building CXX object Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -MF CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o.d -o CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/testRealValueGrid.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryBond.cpp.o -MF CMakeFiles/GraphMol.dir/QueryBond.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryBond.cpp
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o
+[ 14%] Building CXX object Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o
+[ 14%] Building CXX object Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o
+[ 14%] Built target pickersTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DAlignment_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ALIGNMENT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/CMakeFiles/Alignment.dir/AlignPoints.cpp.o -MF CMakeFiles/Alignment.dir/AlignPoints.cpp.o.d -o CMakeFiles/Alignment.dir/AlignPoints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/AlignPoints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Geometry/CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -MF CMakeFiles/GraphMol.dir/QueryAtom.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryAtom.cpp
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemicalFeatures_EXPORTS -DRDKIT_CHEMICALFEATURES_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/FreeChemicalFeature.cpp
-[ 16%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -MF CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/BitCorrMatGenerator.cpp
-[ 16%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o
+[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.cpp
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
+[ 14%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+[ 14%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
+[ 15%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformRealValueGrid3D.cpp
-[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/CMakeFiles/testConrec.dir/testConrec.cpp.o -MF CMakeFiles/testConrec.dir/testConrec.cpp.o.d -o CMakeFiles/testConrec.dir/testConrec.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/testConrec.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -MF CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o.d -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/UniformGrid3D.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Bond.cpp.o -MF CMakeFiles/GraphMol.dir/Bond.cpp.o.d -o CMakeFiles/GraphMol.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Bond.cpp
-[ 17%] Linking CXX executable testConrec
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConrec.dir/link.d CMakeFiles/testConrec.dir/testConrec.cpp.o -o testConrec  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 17%] Built target testConrec
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolOps.cpp.o -MF CMakeFiles/GraphMol.dir/MolOps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolOps.cpp
-[ 17%] Linking CXX executable testAlignment
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAlignment.dir/link.d CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 17%] Built target testAlignment
-[ 17%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeometry_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -MF CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o.d -o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/rdGeometry.cpp
-[ 17%] Building CXX object Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdInfoTheory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -MF CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o.d -o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/rdInfoTheory.cpp
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindRings.cpp.o -MF CMakeFiles/GraphMol.dir/FindRings.cpp.o.d -o CMakeFiles/GraphMol.dir/FindRings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp
+[ 15%] Building CXX object Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Features/CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Features/testFeatures.cpp
+[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o -MF CMakeFiles/GraphMol.dir/ROMol.cpp.o.d -o CMakeFiles/GraphMol.dir/ROMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ROMol.cpp
+[ 15%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.cpp
+[ 15%] Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/Clustering.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o  ../../../../lib/libRDKithc.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 15%] Built target Clustering
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.cpp
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/atomic_data.cpp
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.cpp
+[ 16%] Linking CXX shared module ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMetricMatrixCalc.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMetricMatrixCalc.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/DataManip/Metric/rdMetricMatrixCalc.so CMakeFiles/rdMetricMatrixCalc.dir/rdMetricMatrixCalc.cpp.o  ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target rdMetricMatrixCalc
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o -MF CMakeFiles/GraphMol.dir/Canon.cpp.o.d -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Canon.cpp
+[ 16%] Linking CXX shared library ../../../lib/libRDKitAlignment.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Alignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAlignment.so.1 -o ../../../lib/libRDKitAlignment.so.1.2024.09.6 CMakeFiles/Alignment.dir/AlignPoints.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1 ../../../lib/libRDKitAlignment.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 16%] Built target Alignment
+[ 16%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AtomIterators.cpp
+make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 17%] Building CXX object Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/testAlignment.cpp.o -MF CMakeFiles/testAlignment.dir/testAlignment.cpp.o.d -o CMakeFiles/testAlignment.dir/testAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/testAlignment.cpp
+[ 17%] Linking CXX executable testFPB
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFPB.dir/link.txt --verbose=1
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp:1292:36: warning: unused parameter 'mol' [-Wunused-parameter]
+ 1292 | void findRingFamilies(const ROMol &mol) {
+      |                       ~~~~~~~~~~~~~^~~
 [ 17%] Linking CXX shared library ../../lib/libRDKitChemicalFeatures.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemicalFeatures.dir/link.txt --verbose=1
-[ 17%] Linking CXX executable testBaseFeatures
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBaseFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFPB.dir/link.d CMakeFiles/testFPB.dir/testFPB.cpp.o -o testFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 17%] Built target testFPB
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemicalFeatures.so.1 -o ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitChemicalFeatures.so.1 ../../lib/libRDKitChemicalFeatures.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 17%] Built target ChemicalFeatures
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
+make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 17%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAlignment_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -MF CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o.d -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/rdAlignment.cpp
 make  -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake "--color="
@@ -3029,115 +3056,124 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 17%] Building CXX object Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -MF CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o.d -o CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/testChemicalFeatures.cpp
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Kekulize.cpp
+[ 17%] Linking CXX executable testBaseFeatures
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBaseFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBaseFeatures.dir/link.d CMakeFiles/testBaseFeatures.dir/testFeatures.cpp.o -o testBaseFeatures  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 17%] Built target testBaseFeatures
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/ROMol.cpp.o -MF CMakeFiles/GraphMol.dir/ROMol.cpp.o.d -o CMakeFiles/GraphMol.dir/ROMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ROMol.cpp
-[ 17%] Linking CXX executable testDataStructs
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDataStructs.dir/link.d CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 17%] Built target testDataStructs
-[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o -MF CMakeFiles/GraphMol.dir/RWMol.cpp.o.d -o CMakeFiles/GraphMol.dir/RWMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RWMol.cpp
-[ 17%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 17%] Built target cQuantize
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -MF CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o.d -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PeriodicTable.cpp
-[ 18%] Linking CXX executable testChemicalFeatures
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemicalFeatures.dir/link.d CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -o testChemicalFeatures  ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o
-[ 18%] Built target testChemicalFeatures
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/atomic_data.cpp.o -MF CMakeFiles/GraphMol.dir/atomic_data.cpp.o.d -o CMakeFiles/GraphMol.dir/atomic_data.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/atomic_data.cpp
-[ 18%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/HierarchicalClusterPicker.cpp
-[ 18%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp: In function 'void RDKit::MolOps::findRingFamilies(const RDKit::ROMol&)':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindRings.cpp:1292:36: warning: unused parameter 'mol' [-Wunused-parameter]
- 1292 | void findRingFamilies(const ROMol &mol) {
-      |                       ~~~~~~~~~~~~~^~~
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAlignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Numerics/rdAlignment.so CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o  ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 18%] Built target rdAlignment
-[ 18%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSimDivPickers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -MF CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o.d -o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/rdSimDivPickers.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/QueryOps.cpp.o -MF CMakeFiles/GraphMol.dir/QueryOps.cpp.o.d -o CMakeFiles/GraphMol.dir/QueryOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/QueryOps.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolPickler.cpp.o -MF CMakeFiles/GraphMol.dir/MolPickler.cpp.o.d -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolPickler.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o -MF CMakeFiles/GraphMol.dir/Canon.cpp.o.d -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Canon.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -MF CMakeFiles/GraphMol.dir/AtomIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AtomIterators.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/BondIterators.cpp.o -MF CMakeFiles/GraphMol.dir/BondIterators.cpp.o.d -o CMakeFiles/GraphMol.dir/BondIterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/BondIterators.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -MF CMakeFiles/GraphMol.dir/Aromaticity.cpp.o.d -o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Aromaticity.cpp
-[ 18%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 18%] Built target rdInfoTheory
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Kekulize.cpp.o -MF CMakeFiles/GraphMol.dir/Kekulize.cpp.o.d -o CMakeFiles/GraphMol.dir/Kekulize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Kekulize.cpp
-[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o
+[ 17%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -MF CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o.d -o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ConjugHybrid.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AddHs.cpp.o -MF CMakeFiles/GraphMol.dir/AddHs.cpp.o.d -o CMakeFiles/GraphMol.dir/AddHs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AddHs.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
+[ 18%] Linking CXX executable geometryTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/geometryTestsCatch.dir/link.txt --verbose=1
+[ 18%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1
+[ 18%] Linking CXX executable testGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGrid.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/geometryTestsCatch.dir/link.d CMakeFiles/geometryTestsCatch.dir/catch_tests.cpp.o -o geometryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target geometryTestsCatch
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Matrices.cpp.o -MF CMakeFiles/GraphMol.dir/Matrices.cpp.o.d -o CMakeFiles/GraphMol.dir/Matrices.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Matrices.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.cpp
-[ 19%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGrid.dir/link.d CMakeFiles/testGrid.dir/testGrid.cpp.o -o testGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 19%] Built target rdGeometry
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o  ../../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKithc.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target testGrid
+[ 18%] Linking CXX executable testTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTransforms.dir/link.txt --verbose=1
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Chirality.cpp.o -MF CMakeFiles/GraphMol.dir/Chirality.cpp.o.d -o CMakeFiles/GraphMol.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Chirality.cpp
+[ 18%] Built target rdSimDivPickers
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/RingInfo.cpp.o -MF CMakeFiles/GraphMol.dir/RingInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RingInfo.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTransforms.dir/link.d CMakeFiles/testTransforms.dir/testTransforms.cpp.o -o testTransforms  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target testTransforms
+[ 18%] Linking CXX executable testRealValueGrid
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRealValueGrid.dir/link.txt --verbose=1
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o -MF CMakeFiles/GraphMol.dir/Conformer.cpp.o.d -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Conformer.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Renumber.cpp
-[ 19%] Linking CXX shared module ../../../rdkit/SimDivFilters/rdSimDivPickers.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSimDivPickers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSimDivPickers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/SimDivFilters/rdSimDivPickers.so CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/LeaderPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/HierarchicalClusterPicker.cpp.o CMakeFiles/rdSimDivPickers.dir/rdSimDivPickers.cpp.o  ../../../lib/libRDKitSimDivPickers.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKithc.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRealValueGrid.dir/link.d CMakeFiles/testRealValueGrid.dir/testRealValueGrid.cpp.o -o testRealValueGrid  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 19%] Built target rdSimDivPickers
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
+[ 18%] Built target testRealValueGrid
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o -MF CMakeFiles/GraphMol.dir/Renumber.cpp.o.d -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Renumber.cpp
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -MF CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o.d -o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/AdjustQuery.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
+[ 18%] Linking CXX shared module ../../../rdkit/ML/Data/cQuantize.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/Data && /usr/bin/cmake -E cmake_link_script CMakeFiles/cQuantize.dir/link.txt --verbose=1
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Resonance.cpp.o -MF CMakeFiles/GraphMol.dir/Resonance.cpp.o.d -o CMakeFiles/GraphMol.dir/Resonance.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Resonance.cpp
-[ 19%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cQuantize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ML/Data/cQuantize.so CMakeFiles/cQuantize.dir/cQuantize.cpp.o  ../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 18%] Built target cQuantize
+[ 18%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -MF CMakeFiles/GraphMol.dir/StereoGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StereoGroup.cpp
+[ 19%] Linking CXX executable testConrec
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics && /usr/bin/cmake -E cmake_link_script CMakeFiles/testConrec.dir/link.txt --verbose=1
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o -MF CMakeFiles/GraphMol.dir/new_canon.cpp.o.d -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/new_canon.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -MF CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstanceGroup.cpp
-[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o -MF CMakeFiles/GraphMol.dir/FindStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/FindStereo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindStereo.cpp
-[ 20%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
+[ 20%] Linking CXX executable testMultiFPB
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultiFPB.dir/link.txt --verbose=1
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o -MF CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o.d -o CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MonomerInfo.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cDataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/FindStereo.cpp.o -MF CMakeFiles/GraphMol.dir/FindStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/FindStereo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FindStereo.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultiFPB.dir/link.d CMakeFiles/testMultiFPB.dir/testMultiFPB.cpp.o -o testMultiFPB  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 20%] Built target cDataStructs
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testConrec.dir/link.d CMakeFiles/testConrec.dir/testConrec.cpp.o -o testConrec  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 20%] Built target testMultiFPB
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testConrec
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -MF CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/NontetrahedralStereo.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Atropisomers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -MF CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o.d -o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/NontetrahedralStereo.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/Atropisomers.cpp.o -MF CMakeFiles/GraphMol.dir/Atropisomers.cpp.o.d -o CMakeFiles/GraphMol.dir/Atropisomers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Atropisomers.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -MF CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o.d -o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/WedgeBonds.cpp
 [ 20%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGraphMol_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GRAPHMOL_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CMakeFiles/GraphMol.dir/MolProps.cpp.o -MF CMakeFiles/GraphMol.dir/MolProps.cpp.o.d -o CMakeFiles/GraphMol.dir/MolProps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProps.cpp
+[ 20%] Linking CXX executable testChemicalFeatures
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemicalFeatures.dir/link.txt --verbose=1
+[ 20%] Linking CXX executable testAlignment
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAlignment.dir/link.txt --verbose=1
+[ 20%] Linking CXX shared module ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdInfoTheory.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemicalFeatures.dir/link.d CMakeFiles/testChemicalFeatures.dir/testChemicalFeatures.cpp.o -o testChemicalFeatures  ../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testChemicalFeatures
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAlignment.dir/link.d CMakeFiles/testAlignment.dir/testAlignment.cpp.o -o testAlignment  ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdInfoTheory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/ML/InfoTheory/rdInfoTheory.so CMakeFiles/rdInfoTheory.dir/InfoBitRanker.cpp.o CMakeFiles/rdInfoTheory.dir/BitCorrMatGenerator.cpp.o CMakeFiles/rdInfoTheory.dir/rdInfoTheory.cpp.o  ../../../../lib/libRDKitInfoTheory.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 20%] Built target testAlignment
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdInfoTheory
+[ 20%] Linking CXX executable testDataStructs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDataStructs.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDataStructs.dir/link.d CMakeFiles/testDataStructs.dir/testDatastructs.cpp.o -o testDataStructs  ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target testDataStructs
+[ 20%] Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAlignment.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Numerics/rdAlignment.so CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o  ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdAlignment
+[ 20%] Linking CXX shared module ../../../rdkit/Geometry/rdGeometry.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/UniformRealValueGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o  ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target rdGeometry
+[ 20%] Linking CXX shared module ../../../rdkit/DataStructs/cDataStructs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataStructs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/cDataStructs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/cDataStructs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DataStructs/cDataStructs.so CMakeFiles/cDataStructs.dir/DataStructs.cpp.o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o CMakeFiles/cDataStructs.dir/SparseIntVect.cpp.o CMakeFiles/cDataStructs.dir/RealValueVect.cpp.o CMakeFiles/cDataStructs.dir/wrap_SparseBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_ExplicitBV.cpp.o CMakeFiles/cDataStructs.dir/wrap_BitOps.cpp.o CMakeFiles/cDataStructs.dir/wrap_FPB.cpp.o CMakeFiles/cDataStructs.dir/wrap_Utils.cpp.o  ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Built target cDataStructs
 [ 20%] Linking CXX shared library ../../lib/libRDKitGraphMol.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/GraphMol.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GraphMol.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGraphMol.so.1 -o ../../lib/libRDKitGraphMol.so.1.2024.09.6 CMakeFiles/GraphMol.dir/Atom.cpp.o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o CMakeFiles/GraphMol.dir/QueryBond.cpp.o CMakeFiles/GraphMol.dir/Bond.cpp.o CMakeFiles/GraphMol.dir/MolOps.cpp.o CMakeFiles/GraphMol.dir/FindRings.cpp.o CMakeFiles/GraphMol.dir/ROMol.cpp.o CMakeFiles/GraphMol.dir/RWMol.cpp.o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o CMakeFiles/GraphMol.dir/atomic_data.cpp.o CMakeFiles/GraphMol.dir/QueryOps.cpp.o CMakeFiles/GraphMol.dir/MolPickler.cpp.o CMakeFiles/GraphMol.dir/Canon.cpp.o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o CMakeFiles/GraphMol.dir/BondIterators.cpp.o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o CMakeFiles/GraphMol.dir/Kekulize.cpp.o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o CMakeFiles/GraphMol.dir/AddHs.cpp.o CMakeFiles/GraphMol.dir/Matrices.cpp.o CMakeFiles/GraphMol.dir/Chirality.cpp.o CMakeFiles/GraphMol.dir/RingInfo.cpp.o CMakeFiles/GraphMol.dir/Conformer.cpp.o CMakeFiles/GraphMol.dir/Renumber.cpp.o CMakeFiles/GraphMol.dir/AdjustQuery.cpp.o CMakeFiles/GraphMol.dir/Resonance.cpp.o CMakeFiles/GraphMol.dir/StereoGroup.cpp.o CMakeFiles/GraphMol.dir/new_canon.cpp.o CMakeFiles/GraphMol.dir/SubstanceGroup.cpp.o CMakeFiles/GraphMol.dir/FindStereo.cpp.o CMakeFiles/GraphMol.dir/MonomerInfo.cpp.o CMakeFiles/GraphMol.dir/NontetrahedralStereo.cpp.o CMakeFiles/GraphMol.dir/Atropisomers.cpp.o CMakeFiles/GraphMol.dir/WedgeBonds.cpp.o CMakeFiles/GraphMol.dir/MolProps.cpp.o  ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -3146,1108 +3182,1065 @@
 [ 20%] Built target GraphMol
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/depend
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/tableTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build
+make  -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
-make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/build
+make  -f Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/tableTestsCatch.dir/build
 make  -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake "--color="
-[ 21%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGenericGroups_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERICGROUPS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -MF CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolTransforms_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLTRANSFORMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.cpp
-[ 21%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TRAJECTORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o -MF CMakeFiles/Trajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/Trajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/Trajectory.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 21%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_periodictable.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/build
+[ 20%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolTransforms_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLTRANSFORMS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -MF CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o.d -o CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/MolTransforms.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o
+make  -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParseOps.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesParse.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 20%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o
+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o
+[ 20%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o
+[ 21%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmartsWrite.cpp
-[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
+[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
 [ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o
-[ 21%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TRAJECTORY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Trajectory/CMakeFiles/Trajectory.dir/Trajectory.cpp.o -MF CMakeFiles/Trajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/Trajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/Trajectory.cpp
+[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o
+[ 21%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
-[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/Subgraphs.cpp
+[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
+[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -MF CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o.d -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/SmilesWrite.cpp
+[ 21%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
+[ 22%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smiles.tab.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGenericGroups_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERICGROUPS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -MF CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o.d -o CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/GenericGroups.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
+[ 22%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o
+[ 22%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o
+[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
+[ 24%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
+[ 24%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.cpp
+[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
+[ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/lex.yysln.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp
+[ 25%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.cpp
+[ 24%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
+[ 25%] Building CXX object Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
+[ 25%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/sln.tab.cpp
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -MF CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o.d -o CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_periodictable.cpp
+[ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
+[ 25%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp
+[ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o -MF CMakeFiles/rdqueries.dir/Queries.cpp.o.d -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Queries.cpp
+[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
+[ 26%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParse.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -MF CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o.d -o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CXSmilesOps.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/CIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 21%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -MF CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o.d -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/Subgraphs.cpp
-[ 21%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerCharges.cpp
-[ 22%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Parser.cpp.o -MF CMakeFiles/MolInterchange.dir/Parser.cpp.o.d -o CMakeFiles/MolInterchange.dir/Parser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Parser.cpp
-[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o
-[ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/rdqueries.cpp.o -MF CMakeFiles/rdqueries.dir/rdqueries.cpp.o.d -o CMakeFiles/rdqueries.dir/rdqueries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdqueries.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o -MF CMakeFiles/SLNParse.dir/SLNParse.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNParse.cpp
-[ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o
+[ 26%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp
-[ 22%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DPartialCharges_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_PARTIALCHARGES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -MF CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o.d -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/GasteigerParams.cpp
-[ 22%] Linking CXX shared module ../../../rdkit/rdBase.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
-[ 22%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdqueries_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o -MF CMakeFiles/rdqueries.dir/Queries.cpp.o.d -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Queries.cpp
-[ 22%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/CIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 22%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdBase.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 26%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
+[ 26%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -MF CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o.d -o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 22%] Built target rdBase
-[ 22%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -MF CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o.d -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/SLNAttribs.cpp
-[ 22%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Trajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTrajectory.so.1 -o ../../../lib/libRDKitTrajectory.so.1.2024.09.6 CMakeFiles/Trajectory.dir/Trajectory.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 22%] Built target Trajectory
-[ 23%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Node.cpp.o -MF CMakeFiles/CIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
-[ 23%] Linking CXX executable tableTestsCatch
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
+[ 27%] Linking CXX executable tableTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/tableTestsCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tableTestsCatch.dir/link.d CMakeFiles/tableTestsCatch.dir/catch_periodictable.cpp.o -o tableTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 23%] Built target tableTestsCatch
-make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color="
+[ 27%] Built target tableTestsCatch
+[ 27%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 23%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.cpp
-[ 24%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -MF CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o.d -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/MolCatalogParams.cpp
-[ 24%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubgraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -MF CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o.d -o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/SubgraphUtils.cpp
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
+[ 27%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
+[ 27%] Built target PartialCharges
+make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
+make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Trajectory.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/CIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitMolCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1
+[ 27%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolCatalog.so.1 -o ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitMolCatalog.so.1 ../../../lib/libRDKitMolCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target MolCatalog
-[ 24%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInterchange_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERCHANGE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/MolInterchange.dir/Writer.cpp.o -MF CMakeFiles/MolInterchange.dir/Writer.cpp.o.d -o CMakeFiles/MolInterchange.dir/Writer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Writer.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/CIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/CIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
-[ 24%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/LinearSearch.cpp
-[ 24%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o -MF CMakeFiles/SLNParse.dir/sln.tab.cpp.o.d -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/sln.tab.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitPartialCharges.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/PartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitPartialCharges.so.1 -o ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1 ../../../lib/libRDKitPartialCharges.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target PartialCharges
+[ 27%] Built target MolCatalog
 make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
+[ 27%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolCatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -MF CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o.d -o CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target GenericGroups
-make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdPartialCharges_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -MF CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o.d -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
+[ 27%] Linking CXX shared library ../../../lib/libRDKitTrajectory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/Trajectory.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Trajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTrajectory.so.1 -o ../../../lib/libRDKitTrajectory.so.1.2024.09.6 CMakeFiles/Trajectory.dir/Trajectory.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1 ../../../lib/libRDKitTrajectory.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target MolTransforms
-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
+[ 27%] Built target Trajectory
+make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Optimizer.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2024.09.6 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target Optimizer
-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
+make  -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
-[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -MF CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o.d -o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/CanonicalizeStereoGroups.cpp
-[ 24%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smarts.tab.cpp
-[ 24%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
+[ 27%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o
+[ 27%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -MF CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o.d -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/BFGSOpt.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DOptimizer_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_OPTIMIZER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -MF CMakeFiles/Optimizer.dir/LinearSearch.cpp.o.d -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/LinearSearch.cpp
+[ 27%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Trajectory.cpp
+[ 28%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdTrajectory.cpp
+[ 28%] Linking CXX shared library ../../../lib/libRDKitSubgraphs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1
-[ 24%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Subgraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubgraphs.so.1 -o ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1 ../../../lib/libRDKitSubgraphs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target Subgraphs
-make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
+[ 28%] Built target Subgraphs
+[ 28%] Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 28%] Built target rdChemicalFeatures
+[ 28%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
+[ 28%] Linking CXX shared library ../../../lib/libRDKitOptimizer.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/CIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 28%] Built target CIPLabeler
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build
+make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o  ../../../lib/libRDKitChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Optimizer.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitOptimizer.so.1 -o ../../../lib/libRDKitOptimizer.so.1.2024.09.6 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1 ../../../lib/libRDKitOptimizer.so
+[ 28%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Built target rdChemicalFeatures
+[ 28%] Built target Optimizer
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend
+make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 24%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/testOptimizer.cpp
-[ 24%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
-[ 25%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SLNPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -MF CMakeFiles/SLNParse.dir/lex.yysln.cpp.o.d -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/lex.yysln.cpp
-[ 25%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 25%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
+[ 28%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -MF CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o.d -o CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer/testOptimizer.cpp
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
+[ 28%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/ForceField.cpp.o -MF CMakeFiles/ForceField.dir/ForceField.cpp.o.d -o CMakeFiles/ForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/ForceField.cpp
-[ 26%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructUtils.cpp
-[ 26%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 27%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraints.cpp
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraint.cpp
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.cpp
+[ 29%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraint.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/AngleBend.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/BondStretch.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
+[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.cpp
+[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1
-[ 27%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -MF CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o.d -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smiles.tab.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdPartialCharges.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdPartialCharges.so CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o  ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 27%] Built target rdPartialCharges
-[ 27%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 27%] Linking CXX executable testOptimizer
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 31%] Built target rdPartialCharges
+[ 31%] Linking CXX shared library ../../../lib/libRDKitMolTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolTransforms.so.1 -o ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1 ../../../lib/libRDKitMolTransforms.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Built target MolTransforms
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend
+make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 27%] Built target testOptimizer
-[ 27%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
+make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o
+[ 31%] Building CXX object Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolTransforms_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -MF CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o.d -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeEncoder.cpp
+[ 31%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SHAPEHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -MF CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o.d -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp
-[ 27%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraint.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 28%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 29%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdtrajectory_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -MF CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o.d -o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdTrajectory.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -MF CMakeFiles/ForceField.dir/AngleConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/AngleConstraints.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraint.cpp
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -MF CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o.d -o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/DistanceConstraints.cpp
-[ 30%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
+[ 31%] Linking CXX shared library ../../../lib/libRDKitGenericGroups.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/GenericGroups.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GenericGroups.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGenericGroups.so.1 -o ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 CMakeFiles/GenericGroups.dir/GenericGroups.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1 ../../../lib/libRDKitGenericGroups.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Built target GenericGroups
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 31%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o
+[ 32%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructMatch.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTMATCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructMatch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -MF CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o.d -o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/SubstructUtils.cpp
+[ 32%] Linking CXX shared library ../../../lib/libRDKitSLNParse.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSLNParse.so.1 -o ../../../lib/libRDKitSLNParse.so.1.2024.09.6 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSLNParse.so.1 ../../../lib/libRDKitSLNParse.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Built target SLNParse
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 32%] Built target SLNParse
 make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
+[ 32%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSLNParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -MF CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o.d -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/PositionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/PositionConstraint.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -MF CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o.d -o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/TorsionConstraint.cpp
-[ 30%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Built target MolInterchange
-make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/AngleBend.cpp
-[ 30%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 32%] Linking CXX executable testOptimizer
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/testOptimizer.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testOptimizer.dir/link.d CMakeFiles/testOptimizer.dir/testOptimizer.cpp.o -o testOptimizer  ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Built target rdqueries
-[ 30%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/BondStretch.cpp
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Nonbonded.cpp
-[ 30%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
+[ 32%] Built target testOptimizer
+[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1
-[ 30%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversion.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o  ../../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 30%] Built target rdMolCatalog
-[ 30%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmarts.cpp
-[ 31%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SMILESPARSE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSmilesParse_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -MF CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o.d -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/lex.yysmiles.cpp
-[ 31%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DCIPLabeler_EXPORTS -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 31%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 31%] Built target rdMolTransforms
-[ 31%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Inversions.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/TorsionAngle.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Params.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -MF CMakeFiles/ForceField.dir/UFF/Utils.cpp.o.d -o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/Utils.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/AngleBend.cpp
 [ 32%] Linking CXX shared library ../../../lib/libRDKitShapeHelpers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1
+[ 32%] Built target rdMolCatalog
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitShapeHelpers.so.1 -o ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitShapeHelpers.so.1 ../../../lib/libRDKitShapeHelpers.so
+[ 32%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 32%] Linking CXX shared library ../../../lib/libRDKitMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInterchange.dir/link.txt --verbose=1
 [ 32%] Built target ShapeHelpers
 make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake "--color="
-[ 32%] Linking CXX shared module ../../../rdkit/Chem/rdtrajectory.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdtrajectory.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 32%] Building CXX object Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdShapeHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -MF CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o.d -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/BondStretch.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInterchange.so.1 -o ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 CMakeFiles/MolInterchange.dir/Parser.cpp.o CMakeFiles/MolInterchange.dir/Writer.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitMolInterchange.so.1 ../../../lib/libRDKitMolInterchange.so
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdtrajectory.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdtrajectory.so CMakeFiles/rdtrajectory.dir/Trajectory.cpp.o CMakeFiles/rdtrajectory.dir/rdTrajectory.cpp.o  ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 32%] Built target rdtrajectory
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/StretchBend.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/OopBend.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/TorsionAngle.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Nonbonded.cpp
-[ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceField_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELD_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -MF CMakeFiles/ForceField.dir/MMFF/Params.cpp.o.d -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/Params.cpp
-[ 32%] Linking CXX shared library ../../../lib/libRDKitCIPLabeler.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/CIPLabeler.dir/link.txt --verbose=1
-[ 32%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/CIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitCIPLabeler.so.1 -o ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 CMakeFiles/CIPLabeler.dir/CIPMol.cpp.o CMakeFiles/CIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/CIPLabeler.dir/Mancude.cpp.o CMakeFiles/CIPLabeler.dir/Digraph.cpp.o CMakeFiles/CIPLabeler.dir/Node.cpp.o CMakeFiles/CIPLabeler.dir/Edge.cpp.o CMakeFiles/CIPLabeler.dir/Sort.cpp.o CMakeFiles/CIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/CIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/CIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/CIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/CIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/CIPLabeler.dir/rules/SequenceRule.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1 ../../../lib/libRDKitCIPLabeler.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target CIPLabeler
-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/depend
+[ 32%] Built target MolInterchange
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/DependInfo.cmake "--color="
+[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/build
+make  -f Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build.make Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Building CXX object Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCIPLabeler_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/CIPLabeler/Wrap/CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -MF CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o.d -o CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/rdCIPLabeler.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
+[ 32%] Building CXX object Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolInterchange_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInterchange/Wrap/CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -MF CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o.d -o CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/rdMolInterchange.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target SubstructMatch
-[ 32%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
+[ 32%] Built target rdCIPLabeler
+[ 32%] Linking CXX shared module ../../../rdkit/rdBase.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/RDBoost/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdBase.dir/link.txt --verbose=1
+[ 32%] Linking CXX shared module ../../../rdkit/Chem/rdqueries.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdqueries.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 32%] Built target rdqueries
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdBase.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/rdBase.so CMakeFiles/rdBase.dir/RDBase.cpp.o  ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 32%] Built target rdBase
+[ 33%] Linking CXX shared library ../../lib/libRDKitForceField.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 33%] Built target ForceField
+[ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSLNParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o  ../../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target rdSLNParse
-[ 32%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
+[ 33%] Built target rdSLNParse
+[ 33%] Linking CXX shared library ../../../lib/libRDKitSmilesParse.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SmilesParse.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSmilesParse.so.1 -o ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/CXSmilesOps.cpp.o CMakeFiles/SmilesParse.dir/CanonicalizeStereoGroups.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o  ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1 ../../../lib/libRDKitSmilesParse.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 32%] Built target SmilesParse
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+[ 33%] Built target SmilesParse
 make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
+make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/depend
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/queryTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/depend
+make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build
+make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/itertest.cpp
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_queries.cpp
+[ 34%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test2.cpp
+[ 34%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o
+[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
+[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/memtest1.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o -MF CMakeFiles/testSubgraphs2.dir/test2.cpp.o.d -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test2.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o -MF CMakeFiles/testSubgraphs1.dir/test1.cpp.o.d -o CMakeFiles/testSubgraphs1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test1.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -MF CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o.d -o CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/v2catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molbundle.cpp
+[ 34%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o -MF CMakeFiles/testPartialCharges.dir/test1.cpp.o.d -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/test1.cpp
+[ 34%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/catch_tests.cpp
+[ 34%] Linking CXX shared library ../../../lib/libRDKitSubstructMatch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1
+[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolTransforms.so CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o  ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/queryTestsCatch.dir/build
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructMatch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructMatch.so.1 -o ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o  ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1 ../../../lib/libRDKitSubstructMatch.so
+[ 34%] Built target rdMolTransforms
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 34%] Built target SubstructMatch
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake "--color="
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -MF CMakeFiles/graphmolcpTest.dir/cptest.cpp.o.d -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/cptest.cpp
+make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/depend
-[ 33%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -MF CMakeFiles/graphmolIterTest.dir/itertest.cpp.o.d -o CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/itertest.cpp
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o
-[ 32%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -MF CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o.d -o CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_queries.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -MF CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o.d -o CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molbundle.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 33%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o
+make  -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -MF CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o.d -o CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/memtest1.cpp
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build
+make  -f Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/build
-make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build
-[ 33%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build
-[ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o
+make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest2.dir/test2.cpp.o -MF CMakeFiles/smiTest2.dir/test2.cpp.o.d -o CMakeFiles/smiTest2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test2.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build
+make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/build
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.cpp
-[ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
-[ 33%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
-[ 33%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -MF CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o.d -o CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/v2catch_tests.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o -MF CMakeFiles/testSubgraphs1.dir/test1.cpp.o.d -o CMakeFiles/testSubgraphs1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test1.cpp
-[ 33%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o -MF CMakeFiles/testSubgraphs2.dir/test2.cpp.o.d -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/test2.cpp
-[ 33%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Subgraphs/CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs/catch_tests.cpp
-[ 33%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 33%] Built target rdMolInterchange
-[ 33%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
-[ 34%] Linking CXX shared library ../../lib/libRDKitForceField.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceField.dir/link.txt --verbose=1
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceField.so.1 -o ../../lib/libRDKitForceField.so.1.2024.09.6 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/AngleConstraints.cpp.o CMakeFiles/ForceField.dir/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/DistanceConstraints.cpp.o CMakeFiles/ForceField.dir/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/Inversions.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/UFF/Utils.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o  ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1 ../../lib/libRDKitForceField.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Built target ForceField
-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake "--color="
-[ 34%] Built target rdShapeHelpers
-[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-[ 34%] Linking CXX executable queryTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
-[ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -MF CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o.d -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/querytest.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Built target queryTestsCatch
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+[ 34%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o
+[ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -MF CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o.d -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/AlignMolecules.cpp
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
+[ 34%] Building CXX object Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o
 [ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o
+[ 34%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o
+[ 34%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/Filters.cpp.o -MF CMakeFiles/FilterCatalog.dir/Filters.cpp.o.d -o CMakeFiles/FilterCatalog.dir/Filters.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Filters.cpp
+[ 34%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogEntry.cpp
-[ 34%] Linking CXX executable smiTest2
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1
-[ 34%] Linking CXX shared module ../../../../rdkit/Chem/rdCIPLabeler.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCIPLabeler.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCIPLabeler.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdCIPLabeler.so CMakeFiles/rdCIPLabeler.dir/rdCIPLabeler.cpp.o  ../../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 34%] Built target rdCIPLabeler
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
+[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o
+[ 34%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganFingerprints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -MF CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o.d -o CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_moliterators.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/PatternFingerprints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -MF CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o.d -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Fingerprints.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
+[ 35%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
+[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o
 [ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest2.dir/link.d CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalog.cpp
+[ 35%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterCatalogRunner.cpp
-[ 35%] Built target smiTest2
-make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o -MF CMakeFiles/testPartialCharges.dir/test1.cpp.o.d -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/test1.cpp
-[ 35%] Linking CXX executable subgraphsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
-[ 35%] Linking CXX executable graphmolIterTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Built target subgraphsCatch
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
+[ 35%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o -MF CMakeFiles/smaTest1.dir/smatest.cpp.o.d -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/smatest.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -MF CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o.d -o CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Abbreviations.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
 [ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp
-[ 35%] Built target graphmolIterTest
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o -MF CMakeFiles/testSLNParse.dir/test.cpp.o.d -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/test.cpp
 [ 35%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_REDUCEDGRAPHS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -MF CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o.d -o CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/ReducedGraphs.cpp
-[ 35%] Linking CXX executable moliteratorTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdMolInterchange.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolInterchange.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolInterchange.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolInterchange.so CMakeFiles/rdMolInterchange.dir/rdMolInterchange.cpp.o  ../../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Built target moliteratorTestsCatch
-make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake "--color="
+[ 35%] Built target rdMolInterchange
+[ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
+[ 35%] Linking CXX executable testPartialCharges
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPartialCharges.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPartialCharges.dir/link.d CMakeFiles/testPartialCharges.dir/test1.cpp.o -o testPartialCharges  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o -MF CMakeFiles/testSLNParse.dir/test.cpp.o.d -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/test.cpp
-[ 35%] Linking CXX executable graphmolcpTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
+[ 35%] Built target testPartialCharges
+[ 35%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.cpp
+[ 35%] Linking CXX executable smiTest2
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest2.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest2.dir/link.d CMakeFiles/smiTest2.dir/test2.cpp.o -o smiTest2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 35%] Built target smiTest2
+[ 35%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
+[ 35%] Linking CXX executable subgraphsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/subgraphsCatch.dir/link.txt --verbose=1
 [ 35%] Linking CXX executable graphmolMemTest1
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1
+[ 35%] Linking CXX executable graphmolcpTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1
+[ 35%] Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMemTest1.dir/link.d CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 35%] Built target graphmolMemTest1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolcpTest.dir/link.d CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 35%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/subgraphsCatch.dir/link.d CMakeFiles/subgraphsCatch.dir/catch_tests.cpp.o -o subgraphsCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 [ 35%] Built target graphmolcpTest
-make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 35%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -MF CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o.d -o CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Abbreviations.cpp
-[ 36%] Linking CXX executable v2smiTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2smiTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMemTest1.dir/link.d CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
+[ 35%] Built target subgraphsCatch
+[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
+[ 36%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdShapeHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdShapeHelpers.so CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o  ../../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Built target graphmolMemTest1
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake "--color="
+[ 36%] Built target rdShapeHelpers
+[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
+[ 36%] Linking CXX executable graphmolIterTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolIterTest.dir/link.txt --verbose=1
+[ 36%] Linking CXX executable queryTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/queryTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolIterTest.dir/link.d CMakeFiles/graphmolIterTest.dir/itertest.cpp.o -o graphmolIterTest  ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp
+[ 36%] Built target graphmolIterTest
+[ 37%] Linking CXX executable v2smiTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2smiTestCatch.dir/link.txt --verbose=1
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/queryTestsCatch.dir/link.d CMakeFiles/queryTestsCatch.dir/catch_queries.cpp.o -o queryTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 37%] Built target queryTestsCatch
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2smiTestCatch.dir/link.d CMakeFiles/v2smiTestCatch.dir/v2catch_tests.cpp.o -o v2smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Built target v2smiTestCatch
-[ 36%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DAbbreviations_EXPORTS -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_ABBREVIATIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -MF CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o.d -o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/AbbreviationsUtils.cpp
-[ 36%] Linking CXX executable testSubgraphs2
+[ 37%] Built target v2smiTestCatch
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.cpp
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
+[ 37%] Linking CXX executable testSubgraphs2
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs2.dir/link.d CMakeFiles/testSubgraphs2.dir/test2.cpp.o -o testSubgraphs2  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Built target testSubgraphs2
-[ 36%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp
-[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairs.cpp
-[ 36%] Linking CXX executable testSubgraphs1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
-[ 36%] Linking CXX executable molbundleTestsCatch
+[ 37%] Built target testSubgraphs2
+[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
+[ 37%] Linking CXX executable molbundleTestsCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molbundleTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs1.dir/link.d CMakeFiles/testSubgraphs1.dir/test1.cpp.o -o testSubgraphs1  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Built target testSubgraphs1
-[ 36%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -MF CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FilterMatchers.cpp
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molbundleTestsCatch.dir/link.d CMakeFiles/molbundleTestsCatch.dir/catch_molbundle.cpp.o -o molbundleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 36%] Built target molbundleTestsCatch
-[ 36%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp
-[ 36%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o -MF CMakeFiles/Fingerprints.dir/MACCS.cpp.o.d -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MACCS.cpp
-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MHFP.cpp.o -MF CMakeFiles/Fingerprints.dir/MHFP.cpp.o.d -o CMakeFiles/Fingerprints.dir/MHFP.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MHFP.cpp
-[ 37%] Linking CXX executable testPartialCharges
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPartialCharges.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPartialCharges.dir/link.d CMakeFiles/testPartialCharges.dir/test1.cpp.o -o testPartialCharges  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 37%] Built target testPartialCharges
-[ 37%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp
-[ 37%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFilterCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILTERCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -MF CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o.d -o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/FunctionalGroupHierarchy.cpp
-[ 37%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
+[ 37%] Built target molbundleTestsCatch
+[ 37%] Linking CXX executable testSubgraphs1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubgraphs1.dir/link.d CMakeFiles/testSubgraphs1.dir/test1.cpp.o -o testSubgraphs1  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 37%] Built target MolAlign
-[ 37%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintGenerator.cpp
-[ 37%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp
-[ 37%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolChemicalFeatures_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLCHEMICALFEATURES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -MF CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o.d -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp
-make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
+[ 37%] Built target testSubgraphs1
+[ 37%] Linking CXX executable moliteratorTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/moliteratorTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moliteratorTestsCatch.dir/link.d CMakeFiles/moliteratorTestsCatch.dir/catch_moliterators.cpp.o -o moliteratorTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/RDDepictor.cpp
-[ 38%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
+[ 37%] Built target moliteratorTestsCatch
+[ 37%] Linking CXX shared library ../../../lib/libRDKitReducedGraphs.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/ReducedGraphs.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitReducedGraphs.so.1 -o ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 CMakeFiles/ReducedGraphs.dir/ReducedGraphs.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitReducedGraphs.so.1 ../../../lib/libRDKitReducedGraphs.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 38%] Built target ReducedGraphs
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/AtomPairGenerator.cpp
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/MorganGenerator.cpp
-[ 38%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatGenerator.cpp
-[ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp
-[ 38%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/EmbeddedFrag.cpp
-[ 38%] Linking CXX executable graphmolqueryTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
-[ 38%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/RDKitFPGenerator.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolqueryTest.dir/link.d CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest  ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 38%] Built target graphmolqueryTest
-[ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleM6.cpp
-[ 38%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Abbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 38%] Built target Abbreviations
-make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionPreferences.cpp
-[ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DForceFieldHelpers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FORCEFIELDHELPERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -MF CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o.d -o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/TorsionAngleContribs.cpp
-[ 39%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap/rdCoordGen.cpp
-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -MF CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o.d -o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/FingerprintUtil.cpp
-[ 39%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFingerprints_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FINGERPRINTS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -MF CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o.d -o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/TopologicalTorsionGenerator.cpp
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragCatParams.cpp
-[ 39%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/DepictUtils.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target FilterCatalog
+[ 37%] Built target ReducedGraphs
 make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/depend
+make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/test1.cpp
-[ 39%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Templates.cpp
-[ 39%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFragCatalog_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FRAGCATALOG_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/FragFPGenerator.cpp
-make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/DependInfo.cmake "--color="
-[ 39%] Linking CXX executable smaTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build.make Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
+[ 37%] Building CXX object Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ReducedGraphs/CMakeFiles/testReducedGraphs.dir/test1.cpp.o -MF CMakeFiles/testReducedGraphs.dir/test1.cpp.o.d -o CMakeFiles/testReducedGraphs.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/test1.cpp
+[ 37%] Building CXX object Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdReducedGraphs_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ReducedGraphs/Wrap/CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -MF CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o.d -o CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/rdReducedGraphs.cpp
-[ 39%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
+[ 37%] Linking CXX shared library ../../../lib/libRDKitAbbreviations.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/Abbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Abbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitAbbreviations.so.1 -o ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 CMakeFiles/Abbreviations.dir/Abbreviations.cpp.o CMakeFiles/Abbreviations.dir/AbbreviationsUtils.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitAbbreviations.so.1 ../../../lib/libRDKitAbbreviations.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target MolChemicalFeatures
+[ 37%] Built target Abbreviations
 make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/DependInfo.cmake "--color="
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 39%] Built target smaTest1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build.make Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
-[ 39%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
+[ 37%] Building CXX object Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdAbbreviations_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Abbreviations/Wrap/CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -MF CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o.d -o CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/rdAbbreviations.cpp
+[ 37%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 40%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
-[ 41%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
-[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
-[ 41%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
+[ 37%] Built target FragCatalog
+[ 37%] Linking CXX shared library ../../../lib/libRDKitForceFieldHelpers.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitForceFieldHelpers.so.1 -o ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleM6.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionPreferences.cpp.o CMakeFiles/ForceFieldHelpers.dir/CrystalFF/TorsionAngleContribs.cpp.o  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1 ../../../lib/libRDKitForceFieldHelpers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Built target ForceFieldHelpers
+[ 37%] Built target ForceFieldHelpers
 make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/depend
 make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend
+make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build
+make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 41%] Building CXX object Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/catch_tests.cpp
-[ 41%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistGeomUtils.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/TriangleSmooth.cpp
-[ 42%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContrib.cpp
-[ 42%] Linking CXX executable testReducedGraphs
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.6 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target Fingerprints
-make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/ForceField.cpp
-[ 42%] Linking CXX executable testSLNParse
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReducedGraphs.dir/link.d CMakeFiles/testReducedGraphs.dir/test1.cpp.o -o testReducedGraphs  ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target testReducedGraphs
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSLNParse.dir/link.d CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target testSLNParse
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
+make  -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build
+make  -f Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build.make Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/build
+make  -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build
+make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend
+make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake "--color="
-[ 42%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
-make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o
+[ 37%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -MF CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistGeomUtils.cpp
+[ 37%] Building CXX object Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o
+[ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o
+[ 38%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o
+[ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
+[ 38%] Building CXX object Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o
+[ 38%] Building CXX object Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o
+[ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -MF CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o.d -o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/TriangleSmooth.cpp
+[ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
+[ 38%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceField_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/ForceField.cpp.o -MF CMakeFiles/rdForceField.dir/ForceField.cpp.o.d -o CMakeFiles/rdForceField.dir/ForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/ForceField.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolInteractionFields_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLINTERACTIONFIELDS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInteractionFields/CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -MF CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o.d -o CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/MIFDescriptors.cpp
-[ 42%] Linking CXX shared library ../../../lib/libRDKitFragCatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FragCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFragCatalog.so.1 -o ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFragCatalog.so.1 ../../../lib/libRDKitFragCatalog.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target FragCatalog
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdForceFieldHelpers_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -MF CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o.d -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -MF CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/catch_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContrib.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/DistViolationContribs.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContrib.cpp
-[ 42%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeometry_EXPORTS -DRDKIT_DISTGEOMETRY_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -MF CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o.d -o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/ChiralViolationContribs.cpp
-[ 42%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCoordGen.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdCoordGen.so CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 38%] Linking CXX shared library ../../../lib/libRDKitMolAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolAlign.so.1 -o ../../../lib/libRDKitMolAlign.so.1.2024.09.6 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o  ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1 ../../../lib/libRDKitMolAlign.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target rdCoordGen
-[ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 38%] Built target MolAlign
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target rdReducedGraphs
-[ 42%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Depictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2024.09.6 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
+make  -f External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build.make External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Built target Depictor
-make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend
-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend
+make  -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
-make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
+[ 40%] Building CXX object External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o
+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o
+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o
+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/RDDepictor.cpp.o -MF CMakeFiles/Depictor.dir/RDDepictor.cpp.o.d -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/RDDepictor.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdCoordGen_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/CoordGen/Wrap/CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -MF CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o.d -o CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/Wrap/rdCoordGen.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -MF CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o.d -o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/EmbeddedFrag.cpp
+[ 40%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/Templates.cpp.o -MF CMakeFiles/Depictor.dir/Templates.cpp.o.d -o CMakeFiles/Depictor.dir/Templates.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Templates.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDepictor_EXPORTS -DIN_COORDGEN -DRDKIT_DEPICTOR_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DepictUtils.cpp.o -MF CMakeFiles/Depictor.dir/DepictUtils.cpp.o.d -o CMakeFiles/Depictor.dir/DepictUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/DepictUtils.cpp
+[ 40%] Linking CXX executable graphmolqueryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolqueryTest.dir/link.d CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest  ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 40%] Built target graphmolqueryTest
+[ 40%] Linking CXX executable testReducedGraphs
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReducedGraphs.dir/link.d CMakeFiles/testReducedGraphs.dir/test1.cpp.o -o testReducedGraphs  ../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 40%] Built target testReducedGraphs
+[ 40%] Linking CXX shared library ../../../lib/libRDKitMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolChemicalFeatures.so.1 -o ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o  ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitMolChemicalFeatures.so.1 ../../../lib/libRDKitMolChemicalFeatures.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 40%] Built target MolChemicalFeatures
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
+[ 40%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp
+[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o
+[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp
+[ 41%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolChemicalFeatures_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -MF CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o.d -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp
+[ 41%] Linking CXX shared library ../../../lib/libRDKitFilterCatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FilterCatalog.dir/link.txt --verbose=1
+[ 41%] Linking CXX shared library ../../../lib/libRDKitFingerprints.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FilterCatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFilterCatalog.so.1 -o ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 CMakeFiles/FilterCatalog.dir/Filters.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalog.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogEntry.cpp.o CMakeFiles/FilterCatalog.dir/FilterCatalogRunner.cpp.o CMakeFiles/FilterCatalog.dir/FilterMatchers.cpp.o CMakeFiles/FilterCatalog.dir/FunctionalGroupHierarchy.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1 ../../../lib/libRDKitFilterCatalog.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build
+[ 41%] Built target FilterCatalog
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
+make  -f Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build.make Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 42%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rdfiltercatalog.cpp
+[ 42%] Building CXX object Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfiltercatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FilterCatalog/Wrap/CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -MF CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o.d -o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/FilterCatalog.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Fingerprints.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFingerprints.so.1 -o ../../../lib/libRDKitFingerprints.so.1.2024.09.6 CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o CMakeFiles/Fingerprints.dir/MACCS.cpp.o CMakeFiles/Fingerprints.dir/MHFP.cpp.o CMakeFiles/Fingerprints.dir/FingerprintGenerator.cpp.o CMakeFiles/Fingerprints.dir/AtomPairGenerator.cpp.o CMakeFiles/Fingerprints.dir/MorganGenerator.cpp.o CMakeFiles/Fingerprints.dir/RDKitFPGenerator.cpp.o CMakeFiles/Fingerprints.dir/FingerprintUtil.cpp.o CMakeFiles/Fingerprints.dir/TopologicalTorsionGenerator.cpp.o  ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1 ../../../lib/libRDKitFingerprints.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
-[ 42%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
+[ 42%] Built target Fingerprints
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/depend
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/inchi.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
-[ 42%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-[ 42%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
-[ 42%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
-[ 42%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/hashfunctions.cpp
-[ 43%] Linking CXX executable ForceFieldsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldsCatch.dir/link.txt --verbose=1
-[ 43%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Built target ForceFieldsCatch
+make  -f Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build.make Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 42%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMHFPFingerprint_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -MF CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o.d -o CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/MHFPWrapper.cpp
+[ 42%] Building CXX object Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFingerprintGenerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Fingerprints/Wrap/CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -MF CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o.d -o CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/FingerprintGeneratorWrapper.cpp
+[ 42%] Linking CXX shared module ../../../../rdkit/Chem/rdReducedGraphs.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdReducedGraphs.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdReducedGraphs.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdReducedGraphs.so CMakeFiles/rdReducedGraphs.dir/rdReducedGraphs.cpp.o  ../../../../lib/libRDKitReducedGraphs.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 42%] Built target rdReducedGraphs
+[ 42%] Linking CXX executable testSLNParse
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSLNParse.dir/link.d CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse  ../../../lib/libRDKitSLNParse.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 42%] Built target testSLNParse
+[ 42%] Linking CXX shared library ../../lib/libRDKitDistGeometry.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeometry.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeometry.so.1 -o ../../lib/libRDKitDistGeometry.so.1.2024.09.6 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContribs.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContribs.cpp.o  ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitDistGeometry.so.1 ../../lib/libRDKitDistGeometry.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Built target DistGeometry
+[ 42%] Built target DistGeometry
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend
 make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend
 make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.cpp
-[ 43%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
-[ 43%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
-[ 43%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
+[ 42%] Building CXX object Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/DistGeom/CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -MF CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o.d -o CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/testDistGeom.cpp
-[ 43%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
+[ 42%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o
+[ 42%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp
+[ 42%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/EmbedderUtils.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeomHelpers_EXPORTS -DRDKIT_DISTGEOMHELPERS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -MF CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o.d -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Embedder.cpp
+[ 42%] Building CXX object Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDistGeom_EXPORTS -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DistGeom.cpp.o -MF CMakeFiles/DistGeom.dir/DistGeom.cpp.o.d -o CMakeFiles/DistGeom.dir/DistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/DistGeom.cpp
-[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 43%] Linking CXX executable ForceFieldsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/ForceFieldsCatch.dir/link.d CMakeFiles/ForceFieldsCatch.dir/catch_tests.cpp.o -o ForceFieldsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 43%] Built target ForceFieldsCatch
+[ 43%] Linking CXX executable smaTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smaTest1.dir/link.d CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1  ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 43%] Built target rdMolChemicalFeatures
+[ 43%] Built target smaTest1
 [ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdAbbreviations.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAbbreviations.dir/link.txt --verbose=1
+[ 43%] Linking CXX shared module ../../../rdkit/Chem/rdCoordGen.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdCoordGen.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdAbbreviations.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdAbbreviations.so CMakeFiles/rdAbbreviations.dir/rdAbbreviations.cpp.o  ../../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 43%] Built target rdAbbreviations
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdCoordGen.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdCoordGen.so CMakeFiles/rdCoordGen.dir/rdCoordGen.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 43%] Built target rdCoordGen
 [ 43%] Linking CXX executable testDistGeom
-[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeom.dir/link.txt --verbose=1
+[ 43%] Linking CXX shared library ../../../lib/libRDKitMolInteractionFields.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolInteractionFields.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeom.dir/link.d CMakeFiles/testDistGeom.dir/testDistGeom.cpp.o -o testDistGeom  ../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 43%] Built target testDistGeom
+[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolInteractionFields.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolInteractionFields.so.1 -o ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 CMakeFiles/MolInteractionFields.dir/MIFDescriptors.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitMolInteractionFields.so.1 ../../../lib/libRDKitMolInteractionFields.so
+[ 43%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
 [ 43%] Built target MolInteractionFields
 make  -f Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/build.make Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
@@ -4257,15 +4250,79 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 44%] Building CXX object Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMIF_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolInteractionFields/Wrap/CMakeFiles/rdMIF.dir/rdMIF.cpp.o -MF CMakeFiles/rdMIF.dir/rdMIF.cpp.o.d -o CMakeFiles/rdMIF.dir/rdMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/rdMIF.cpp
-[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so
-[ 44%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolChemicalFeatures.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o  ../../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdMolChemicalFeatures
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceFieldHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o  ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdForceFieldHelpers
+[ 44%] Linking CXX shared library ../../../lib/libRDKitDepictor.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Depictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDepictor.so.1 -o ../../../lib/libRDKitDepictor.so.1.2024.09.6 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o CMakeFiles/Depictor.dir/Templates.cpp.o  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1 ../../../lib/libRDKitDepictor.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target Depictor
+make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend
+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build
+make  -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build
+make  -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build
+make  -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o
+[ 44%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o
+[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o
+[ 44%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o
+[ 44%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/hashfunctions.cpp.o -MF CMakeFiles/MolHash.dir/hashfunctions.cpp.o.d -o CMakeFiles/MolHash.dir/hashfunctions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/hashfunctions.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDInchiLib_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_RDINCHILIB_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o -MF CMakeFiles/RDInchiLib.dir/inchi.cpp.o.d -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/inchi.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDepictor_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -MF CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o.d -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -MF CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o.d -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/ChemTransforms.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolHash_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLHASH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/normalize.cpp.o -MF CMakeFiles/MolHash.dir/normalize.cpp.o.d -o CMakeFiles/MolHash.dir/normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/normalize.cpp
+[ 44%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemTransforms_EXPORTS -DRDKIT_CHEMTRANSFORMS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -MF CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o.d -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+[ 44%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target DistGeom
+[ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdForceField
+[ 44%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeomHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target DistGeomHelpers
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdMHFPFingerprint
+[ 44%] Linking CXX shared library ../../../lib/libRDKitMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolHash.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolHash.so.1 -o ../../../lib/libRDKitMolHash.so.1.2024.09.6 CMakeFiles/MolHash.dir/hashfunctions.cpp.o CMakeFiles/MolHash.dir/normalize.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1 ../../../lib/libRDKitMolHash.so
-[ 44%] Built target rdForceFieldHelpers
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 44%] Built target MolHash
 make  -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend
@@ -4276,11 +4333,6 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 44%] Building CXX object Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolHash_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -MF CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o.d -o CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/rdMolHash.cpp
-[ 44%] Linking CXX shared module ../../../rdkit/DistanceGeometry/DistGeom.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeom.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/DistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/DistanceGeometry/DistGeom.so CMakeFiles/DistGeom.dir/DistGeom.cpp.o  ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 44%] Built target DistGeom
 [ 44%] Linking CXX shared library ../../lib/libRDKitRDInchiLib.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RDInchiLib.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRDInchiLib.so.1 -o ../../lib/libRDKitRDInchiLib.so.1.2024.09.6 CMakeFiles/RDInchiLib.dir/inchi.cpp.o  /usr/lib/x86_64-linux-gnu/libinchi.so ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -4295,27 +4347,26 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 44%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdinchi_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o -MF CMakeFiles/rdinchi.dir/pyInchi.cpp.o.d -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/INCHI-API/Wrap/pyInchi.cpp
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 44%] Built target rdFingerprintGenerator
 [ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdDepictor.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDepictor.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDepictor.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDepictor.so CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o  ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 44%] Built target rdDepictor
-[ 44%] Linking CXX shared module ../../../rdkit/ForceField/rdForceField.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdForceField.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/ForceField/rdForceField.so CMakeFiles/rdForceField.dir/ForceField.cpp.o  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 44%] Built target rdForceField
-[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMHFPFingerprint.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMHFPFingerprint.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMHFPFingerprint.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMHFPFingerprint.so CMakeFiles/rdMHFPFingerprint.dir/MHFPWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 44%] Built target rdMHFPFingerprint
-[ 44%] Linking CXX shared library ../../../lib/libRDKitDistGeomHelpers.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/DistGeomHelpers.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDistGeomHelpers.so.1 -o ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o CMakeFiles/DistGeomHelpers.dir/EmbedderUtils.cpp.o  ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1 ../../../lib/libRDKitDistGeomHelpers.so
+[ 44%] Built target rdMIF
+[ 44%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 44%] Built target DistGeomHelpers
+[ 44%] Built target rdMolHash
 [ 44%] Linking CXX shared library ../../../lib/libRDKitChemTransforms.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemTransforms.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemTransforms.so.1 -o ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o  ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -4328,88 +4379,73 @@
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
 [ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -MF CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o.d -o CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CDXMLParser.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/Mol2FileParser.cpp
-[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o
 [ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -MF CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/Mol2FileParser.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -MF CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o.d -o CMakeFiles/FileParsers.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CDXMLParser.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileParser.cpp
+[ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
 [ 44%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
 [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileStereochem.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupWriting.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupWriting.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolFileWriter.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDWriter.cpp
 [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
 [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -MF CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o.d -o CMakeFiles/FileParsers.dir/MolSGroupParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MolSGroupParsing.cpp
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDMolSupplier.cpp
+[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o
 [ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TDTMolSupplier.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SDWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SDWriter.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -MF CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SmilesWriter.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TDTWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TDTWriter.cpp
-[ 45%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TplFileParser.cpp
-[ 45%] Linking CXX shared module ../../../../rdkit/Chem/rdMolHash.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolHash.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolHash.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolHash.so CMakeFiles/rdMolHash.dir/rdMolHash.cpp.o  ../../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 45%] Built target rdMolHash
-[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/TplFileWriter.cpp
-[ 46%] Linking CXX shared module ../../../../rdkit/Chem/rdFingerprintGenerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFingerprintGenerator.dir/link.txt --verbose=1
-[ 47%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o  ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 47%] Built target rdinchi
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBParser.cpp.o -MF CMakeFiles/FileParsers.dir/PDBParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PDBParser.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFingerprintGenerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFingerprintGenerator.so CMakeFiles/rdFingerprintGenerator.dir/FingerprintGeneratorWrapper.cpp.o  ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 47%] Built target rdFingerprintGenerator
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -MF CMakeFiles/FileParsers.dir/PDBWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PDBWriter.cpp
-[ 47%] Linking CXX shared module ../../../../rdkit/Chem/rdMIF.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMIF.dir/link.txt --verbose=1
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o
+[ 46%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -MF CMakeFiles/FileParsers.dir/CMLWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/CMLWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/CMLWriter.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileWriter.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMIF.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMIF.so CMakeFiles/rdMIF.dir/rdMIF.cpp.o  ../../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 47%] Built target rdMIF
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileParser.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -MF CMakeFiles/FileParsers.dir/MaeWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaeWriter.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MaeMolSupplier.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o -MF CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o.d -o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/ProximityBonds.cpp
-[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceParsers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceParsers.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -MF CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o.d -o CMakeFiles/FileParsers.dir/SequenceWriters.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SequenceWriters.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o
+[ 47%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SVGParser.cpp.o -MF CMakeFiles/FileParsers.dir/SVGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/SVGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/SVGParser.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/PNGParser.cpp.o -MF CMakeFiles/FileParsers.dir/PNGParser.cpp.o.d -o CMakeFiles/FileParsers.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/PNGParser.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -MF CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o.d -o CMakeFiles/FileParsers.dir/XYZFileWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileWriter.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o -MF CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o.d -o CMakeFiles/FileParsers.dir/XYZFileParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileParser.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedMolSupplier.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSmilesMolSupplier.cpp
-[ 48%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFileParsers_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FILEPARSERS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/FileParsers.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/MultithreadedSDMolSupplier.cpp
+[ 48%] Linking CXX shared module ../../../rdkit/Chem/rdinchi.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdinchi.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o  ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 48%] Built target rdinchi
 [ 48%] Linking CXX shared module ../../../../rdkit/Chem/rdfiltercatalog.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfiltercatalog.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfiltercatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfiltercatalog.so CMakeFiles/rdfiltercatalog.dir/rdfiltercatalog.cpp.o CMakeFiles/rdfiltercatalog.dir/FilterCatalog.cpp.o  ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -4426,389 +4462,342 @@
 make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/depend
 make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen/CMakeFiles/testCoordGen.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
-make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build
+make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/depend
+make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molBundleTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/testSGroup.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
+make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend
+make  -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/depend
+make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/depend
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/canonTestsCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/depend
+make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend
+make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f External/CoordGen/CMakeFiles/testCoordGen.dir/build.make External/CoordGen/CMakeFiles/testCoordGen.dir/build
-make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
+make  -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 48%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build
 make  -f Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/build
-[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
-[ 49%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/testUFFForceField.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/testMMFFForceField.cpp
-make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test1.cpp
-[ 49%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o
-make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/test.cpp
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
-make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/depend
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -MF CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o.d -o CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPickler.cpp
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -MF CMakeFiles/hanoiTest.dir/hanoitest.cpp.o.d -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/hanoitest.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/depend
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
-make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/depend
-[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testChirality.cpp
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/test-valgrind.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPicklerGlobalSettings.cpp
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testSGroup.cpp
-make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/depend
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/DependInfo.cmake "--color="
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/resMolSupplierTest.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build.make Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/build
+make  -f Code/GraphMol/CMakeFiles/molBundleTest.dir/build.make Code/GraphMol/CMakeFiles/molBundleTest.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/build
+make  -f Code/GraphMol/CMakeFiles/testSGroup.dir/build.make Code/GraphMol/CMakeFiles/testSGroup.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/canonTestsCatch.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/depend
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testMolBundle.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/test-valgrind.dir/build.make Code/GraphMol/CMakeFiles/test-valgrind.dir/build
+make  -f Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/build
 make  -f Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build.make Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/build
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -MF CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o.d -o CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_graphmol.cpp
+make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test-valgrind.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build
+[ 48%] Building CXX object Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -MF CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o.d -o CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_organometallics.cpp
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_chirality.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_adjustquery.cpp
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_canon.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_sgroups.cpp
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -MF CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o.d -o CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_pickles.cpp
-[ 51%] Linking CXX executable test-valgrind
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/test-valgrind.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test-valgrind.dir/link.d "CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o" -o test-valgrind  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Built target test-valgrind
-make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/canonTestsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Building CXX object Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -MF CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o.d -o CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molops.cpp
-[ 51%] Linking CXX executable graphmolOrganometallicsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolOrganometallicsCatch.dir/link.d CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 51%] Built target graphmolOrganometallicsCatch
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake "--color="
+[ 48%] Building CXX object External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DIN_MAEPARSER -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT External/CoordGen/CMakeFiles/testCoordGen.dir/test.cpp.o -MF CMakeFiles/testCoordGen.dir/test.cpp.o.d -o CMakeFiles/testCoordGen.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/External/CoordGen/test.cpp
+make  -f Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o -MF CMakeFiles/smiTest1.dir/test.cpp.o.d -o CMakeFiles/smiTest1.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test.cpp
-[ 52%] Linking CXX executable resMolSupplierTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target resMolSupplierTest
-make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -MF CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o.d -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF/testUFFForceField.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build.make Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/build
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Linking CXX executable graphmoltestPicklerGlobalSetting
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
-[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o -MF CMakeFiles/ChemReactions.dir/Reaction.cpp.o.d -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Reaction.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Linking CXX executable molBundleTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
-[ 52%] Built target graphmoltestPicklerGlobalSetting
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/catch_tests.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molBundleTest.dir/link.d CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -o molBundleTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target molBundleTest
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -MF CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o.d -o CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp
-[ 52%] Linking CXX executable pickleTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickleTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickleTestsCatch.dir/link.d CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -o pickleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-[ 52%] Linking CXX executable hanoiTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target pickleTestsCatch
-make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/testDepictor.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hanoiTest.dir/link.d CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target hanoiTest
-make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build.make Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/build
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o -MF CMakeFiles/graphmolTest1.dir/test1.cpp.o.d -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test1.cpp
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o
+[ 49%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -MF CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o.d -o CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/resMolSupplierTest.cpp
+[ 49%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/catch_tests.cpp
-[ 52%] Linking CXX executable testCoordGen
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoordGen.dir/link.d CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target testCoordGen
-make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o -MF CMakeFiles/fileParsersTest1.dir/test1.cpp.o.d -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/test1.cpp
-[ 52%] Linking CXX executable testUFFForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
-[ 52%] Linking CXX executable canonTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceField.dir/link.d CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target testUFFForceField
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -MF CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o.d -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/testMMFFForceField.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -MF CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o.d -o CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPicklerGlobalSettings.cpp
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/depend
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -MF CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o.d -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/molopstest.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -MF CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o.d -o CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testPickler.cpp
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -MF CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o.d -o CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testAtropisomers.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/canonTestsCatch.dir/link.d CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target canonTestsCatch
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/depend
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -MF CMakeFiles/hanoiTest.dir/hanoitest.cpp.o.d -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/hanoitest.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/depend
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -MF CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o.d -o CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp
-[ 52%] Linking CXX executable graphmolSGroupCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolSGroupCatch.dir/link.d CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target graphmolSGroupCatch
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -MF CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o.d -o CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_sgroups.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -MF CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o.d -o CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testMolBundle.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -MF CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o.d -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testChirality.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -MF CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o.d -o CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolSupplier.cpp
-[ 52%] Linking CXX executable graphmolAdjustQueryCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
-[ 52%] Linking CXX executable molopsTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molopsTestsCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolAdjustQueryCatch.dir/link.d CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 50%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -MF CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o.d -o CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_organometallics.cpp
+[ 50%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -MF CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o.d -o CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/nontetrahedral_tests.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o -MF CMakeFiles/testDepictor.dir/testDepictor.cpp.o.d -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/testDepictor.cpp
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o
+[ 50%] Building CXX object Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/testSGroup.dir/testSGroup.cpp.o -MF CMakeFiles/testSGroup.dir/testSGroup.cpp.o.d -o CMakeFiles/testSGroup.dir/testSGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/testSGroup.cpp
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -MF CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o.d -o CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_canon.cpp
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o
+[ 51%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o
+[ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -MF CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o.d -o CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_graphmol.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -MF CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o.d -o CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_chirality.cpp
+[ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/DaylightParser.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -MF CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o.d -o CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_adjustquery.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -MF CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o.d -o CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/test-valgrind.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -MF CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o.d -o CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_pickles.cpp
+[ 51%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DIN_COORDGEN -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Depictor/CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -MF CMakeFiles/depictorCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/catch_tests.cpp
+[ 51%] Building CXX object Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o -MF CMakeFiles/ChemReactions.dir/Reaction.cpp.o.d -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Reaction.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -MF CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o.d -o CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/catch_molops.cpp
+[ 52%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target graphmolAdjustQueryCatch
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/build
+[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionPickler.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/test.cpp.o -MF CMakeFiles/smiTest1.dir/test.cpp.o.d -o CMakeFiles/smiTest1.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/test.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molopsTestsCatch.dir/link.d CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -o molopsTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target molopsTestsCatch
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/depend
+[ 53%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/catch_tests.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -MF CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o.d -o CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp
-[ 52%] Linking CXX executable testSGroup
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSGroup.dir/link.d CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target testSGroup
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/test1.cpp.o -MF CMakeFiles/fileParsersTest1.dir/test1.cpp.o.d -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/test1.cpp
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build
+make  -f Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -MF CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o.d -o CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testAtropisomers.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -MF CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o.d -o CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSquiggleDoubleBonds.cpp
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -MF CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o.d -o CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolSupplier.cpp
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -MF CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o.d -o CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMultithreadedMolSupplier.cpp
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -MF CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o.d -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMolWriter.cpp
-[ 52%] Linking CXX executable testSquiggleDoubleBonds
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -MF CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o.d -o CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testGeneralFileReader.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionRunner.cpp
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
+[ 53%] Linking CXX executable test-valgrind
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/test-valgrind.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test-valgrind.dir/link.d "CMakeFiles/test-valgrind.dir/test-valgrind.cpp.o" -o test-valgrind  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target testSquiggleDoubleBonds
+[ 53%] Built target test-valgrind
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o -MF CMakeFiles/testTplParser.dir/testTpls.cpp.o.d -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testTpls.cpp
-[ 52%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MDLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MDLParser.cpp
-[ 52%] Linking CXX executable nontetrahedralCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target nontetrahedralCatch
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -MF CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o.d -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testMol2ToMol.cpp
-[ 52%] Linking CXX executable testAtropisomers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAtropisomers.dir/link.d CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -o testAtropisomers  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
+[ 53%] Linking CXX executable testSquiggleDoubleBonds
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSquiggleDoubleBonds.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSquiggleDoubleBonds.dir/link.d CMakeFiles/testSquiggleDoubleBonds.dir/testSquiggleDoubleBonds.cpp.o -o testSquiggleDoubleBonds  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Built target testAtropisomers
+[ 53%] Built target testSquiggleDoubleBonds
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
+[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testSequence.dir/testSequence.cpp.o -MF CMakeFiles/testSequence.dir/testSequence.cpp.o.d -o CMakeFiles/testSequence.dir/testSequence.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testSequence.cpp
-[ 53%] Linking CXX executable testMMFFForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceField.dir/link.d CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
+[ 53%] Linking CXX executable graphmolOrganometallicsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolOrganometallicsCatch.dir/link.txt --verbose=1
+[ 53%] Linking CXX executable resMolSupplierTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/resMolSupplierTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolOrganometallicsCatch.dir/link.d CMakeFiles/graphmolOrganometallicsCatch.dir/catch_organometallics.cpp.o -o graphmolOrganometallicsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Built target testMMFFForceField
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
+[ 53%] Built target graphmolOrganometallicsCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/DependInfo.cmake "--color="
@@ -4817,11 +4806,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -MF CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o.d -o CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testExtendedStereoParsing.cpp
-[ 53%] Linking CXX executable testMultithreadedMolSupplier
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/resMolSupplierTest.dir/link.d CMakeFiles/resMolSupplierTest.dir/resMolSupplierTest.cpp.o -o resMolSupplierTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Built target testMultithreadedMolSupplier
 make  -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/DependInfo.cmake "--color="
@@ -4830,24 +4816,27 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -MF CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o.d -o CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/file_parsers_catch.cpp
-[ 53%] Linking CXX executable graphmolTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+[ 53%] Built target resMolSupplierTest
+[ 53%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
+[ 54%] Linking CXX executable testGeneralFileReader
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
+[ 54%] Linking CXX executable testMultithreadedMolSupplier
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMultithreadedMolSupplier.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Built target graphmolTest1
+[ 54%] Built target testGeneralFileReader
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -MF CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o.d -o CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/testPropertyLists.cpp
-[ 54%] Linking CXX executable testGeneralFileReader
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGeneralFileReader.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGeneralFileReader.dir/link.d CMakeFiles/testGeneralFileReader.dir/testGeneralFileReader.cpp.o -o testGeneralFileReader  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMultithreadedMolSupplier.dir/link.d CMakeFiles/testMultithreadedMolSupplier.dir/testMultithreadedMolSupplier.cpp.o -o testMultithreadedMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 54%] Built target testGeneralFileReader
+[ 54%] Built target testMultithreadedMolSupplier
 make  -f Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/DependInfo.cmake "--color="
@@ -4856,393 +4845,374 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -MF CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o.d -o CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/XYZFileParserCatchTest.cpp
-[ 54%] Linking CXX executable graphmoltestPickler
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable molopsTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molopsTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molopsTestsCatch.dir/link.d CMakeFiles/molopsTestsCatch.dir/catch_molops.cpp.o -o molopsTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 54%] Built target graphmoltestPickler
+[ 54%] Built target molopsTestsCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Linking CXX executable nontetrahedralCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/nontetrahedralCatch.dir/link.txt --verbose=1
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -MF CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o.d -o CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/cdxml_parser_catch.cpp
-[ 54%] Linking CXX executable testTplParser
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
-[ 54%] Linking CXX executable testSequence
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 54%] Built target testTplParser
 make  -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/DependInfo.cmake "--color="
+[ 54%] Linking CXX executable testAtropisomers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAtropisomers.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -MF CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o.d -o CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/molfile_stereo_catch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/nontetrahedralCatch.dir/link.d CMakeFiles/nontetrahedralCatch.dir/nontetrahedral_tests.cpp.o -o nontetrahedralCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 54%] Built target testSequence
+[ 54%] Built target nontetrahedralCatch
 make  -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/DependInfo.cmake "--color="
+[ 54%] Linking CXX executable molBundleTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/molBundleTest.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -MF CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o.d -o CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/connectTheDots_catch.cpp
-[ 55%] Linking CXX executable testDepictor
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAtropisomers.dir/link.d CMakeFiles/testAtropisomers.dir/testAtropisomers.cpp.o -o testAtropisomers  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testDepictor
+[ 54%] Built target testAtropisomers
+[ 54%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molBundleTest.dir/link.d CMakeFiles/molBundleTest.dir/testMolBundle.cpp.o -o molBundleTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Built target molBundleTest
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -MF CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o.d -o CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_suppliers_catch.cpp
-[ 55%] Linking CXX executable testMol2ToMol
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testMol2ToMol
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -MF CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o.d -o CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/v2_file_parsers_catch.cpp
-[ 55%] Linking CXX executable testExtendedStereoParsing
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable graphmoltestPicklerGlobalSetting
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPicklerGlobalSetting.dir/link.d CMakeFiles/graphmoltestPicklerGlobalSetting.dir/testPicklerGlobalSettings.cpp.o -o graphmoltestPicklerGlobalSetting  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testExtendedStereoParsing
+[ 54%] Built target graphmoltestPicklerGlobalSetting
 make  -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FileParsers/CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -MF CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o.d -o CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers/multithreaded_supplier_catch.cpp
-[ 55%] Linking CXX executable graphmoltestChirality
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -MF CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/DaylightParser.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable testTplParser
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testTplParser.dir/link.d CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target graphmoltestChirality
+[ 54%] Linking CXX executable pickleTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/pickleTestsCatch.dir/link.txt --verbose=1
+[ 54%] Built target testTplParser
 make  -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
+[ 54%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/test1.cpp.o -MF CMakeFiles/testSubstructMatch.dir/test1.cpp.o.d -o CMakeFiles/testSubstructMatch.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/test1.cpp
-[ 55%] Linking CXX executable connectTheDotsTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/pickleTestsCatch.dir/link.d CMakeFiles/pickleTestsCatch.dir/catch_pickles.cpp.o -o pickleTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target connectTheDotsTest
+[ 54%] Built target pickleTestsCatch
 make  -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o
+[ 54%] Linking CXX executable testMol2ToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1
+[ 54%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Substruct/CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct/catch_tests.cpp
-[ 55%] Linking CXX executable v2MolSuppliers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2MolSuppliers.dir/link.d CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -o v2MolSuppliers  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMol2ToMol.dir/link.d CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target v2MolSuppliers
+[ 54%] Built target testMol2ToMol
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
+[ 54%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -MF CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o.d -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/testChemTransforms.cpp
-[ 55%] Linking CXX executable v2FileParsersCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable testSequence
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSequence.dir/link.txt --verbose=1
+[ 54%] Linking CXX executable graphmolSGroupCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolSGroupCatch.dir/link.txt --verbose=1
+[ 54%] Linking CXX executable hanoiTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSequence.dir/link.d CMakeFiles/testSequence.dir/testSequence.cpp.o -o testSequence  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target v2FileParsersCatchTest
+[ 54%] Built target testSequence
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
+[ 54%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemTransforms/CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms/catch_tests.cpp
-[ 55%] Linking CXX executable XYZFileParserCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolSGroupCatch.dir/link.d CMakeFiles/graphmolSGroupCatch.dir/catch_sgroups.cpp.o -o graphmolSGroupCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target XYZFileParserCatchTest
+[ 54%] Built target graphmolSGroupCatch
 make  -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build.make Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FilterCatalog/CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -MF CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o.d -o CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/filtercatalogtest.cpp
-[ 55%] Linking CXX executable testMolSupplier
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testMolSupplier
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionPickler.cpp
-[ 55%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionWriter.cpp
-[ 55%] Linking CXX executable multithreadedSupplierCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/multithreadedSupplierCatchTest.dir/link.d CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -o multithreadedSupplierCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/hanoiTest.dir/link.d CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target multithreadedSupplierCatchTest
+[ 54%] Built target hanoiTest
 make  -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/test1.cpp.o -MF CMakeFiles/testFragCatalog.dir/test1.cpp.o.d -o CMakeFiles/testFragCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/test1.cpp
-[ 55%] Linking CXX executable testMolWriter
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 54%] Linking CXX executable testCoordGen
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/External/CoordGen && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoordGen.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoordGen.dir/link.d CMakeFiles/testCoordGen.dir/test.cpp.o -o testCoordGen  /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Built target testMolWriter
+[ 54%] Built target testCoordGen
 make  -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 55%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rdfragcatalog.cpp
-[ 56%] Linking CXX executable molfileStereoCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 54%] Linking CXX executable testExtendedStereoParsing
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testExtendedStereoParsing.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testExtendedStereoParsing.dir/link.d CMakeFiles/testExtendedStereoParsing.dir/testExtendedStereoParsing.cpp.o -o testExtendedStereoParsing  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target molfileStereoCatchTest
+[ 54%] Built target testExtendedStereoParsing
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
 make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
+[ 54%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Crippen.cpp.o -MF CMakeFiles/Descriptors.dir/Crippen.cpp.o.d -o CMakeFiles/Descriptors.dir/Crippen.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Crippen.cpp
-[ 56%] Linking CXX executable cdxmlParserCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target cdxmlParserCatchTest
-[ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionDepict.cpp
-[ 56%] Linking CXX executable depictorCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target depictorCatch
+[ 54%] Linking CXX executable testUFFForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
+[ 54%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o -MF CMakeFiles/testFingerprints.dir/test1.cpp.o.d -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/test1.cpp
-[ 56%] Linking CXX executable testPropertyLists
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceField.dir/link.d CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField  ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 54%] Built target testUFFForceField
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
+[ 54%] Linking CXX executable graphmolAdjustQueryCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolAdjustQueryCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolAdjustQueryCatch.dir/link.d CMakeFiles/graphmolAdjustQueryCatch.dir/catch_adjustquery.cpp.o -o graphmolAdjustQueryCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target testPropertyLists
+[ 54%] Built target graphmolAdjustQueryCatch
+[ 54%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
+[ 54%] Linking CXX executable canonTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/canonTestsCatch.dir/link.txt --verbose=1
+[ 55%] Linking CXX executable testDepictor
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1
+[ 55%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/canonTestsCatch.dir/link.d CMakeFiles/canonTestsCatch.dir/catch_canon.cpp.o -o canonTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 55%] Built target canonTestsCatch
+[ 55%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
+[ 55%] Linking CXX executable connectTheDotsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/connectTheDotsTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDepictor.dir/link.d CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 55%] Linking CXX executable v2FileParsersCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2FileParsersCatchTest.dir/link.txt --verbose=1
+[ 55%] Built target testDepictor
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
+[ 55%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -MF CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o.d -o CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testMHFPFingerprint.cpp
-[ 56%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp
-[ 56%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp
-[ 56%] Linking CXX executable graphmolTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
-[ 56%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTestsCatch.dir/link.d CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/connectTheDotsTest.dir/link.d CMakeFiles/connectTheDotsTest.dir/connectTheDots_catch.cpp.o -o connectTheDotsTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Built target graphmolTestsCatch
+[ 55%] Linking CXX executable XYZFileParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/XYZFileParserCatchTest.dir/link.txt --verbose=1
+[ 55%] Built target connectTheDotsTest
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/build
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2FileParsersCatchTest.dir/link.d CMakeFiles/v2FileParsersCatchTest.dir/v2_file_parsers_catch.cpp.o -o v2FileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
-[ 56%] Linking CXX executable filterCatalogTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionUtils.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/BCUT.cpp.o -MF CMakeFiles/Descriptors.dir/BCUT.cpp.o.d -o CMakeFiles/Descriptors.dir/BCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/BCUT.cpp
-[ 57%] Built target filterCatalogTest
+[ 55%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -MF CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o.d -o CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/testFingerprintGenerators.cpp
+[ 55%] Built target v2FileParsersCatchTest
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
+[ 55%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/catch_tests.cpp
-[ 57%] Linking CXX executable chiralityTestsCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
-[ 57%] Linking CXX executable testFragCatalog
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
-[ 57%] Linking CXX executable smiTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target testFragCatalog
-[ 57%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -MF CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/MoleculeParser.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/XYZFileParserCatchTest.dir/link.d CMakeFiles/XYZFileParserCatchTest.dir/XYZFileParserCatchTest.cpp.o -o XYZFileParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 57%] Built target chiralityTestsCatch
+[ 55%] Built target XYZFileParserCatchTest
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/DependInfo.cmake "--color="
-[ 57%] Built target smiTest1
-make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/build
-[ 57%] Linking CXX executable substructTestCatch
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
-[ 58%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
+[ 56%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Fingerprints/CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -MF CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o.d -o CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
+[ 56%] Linking CXX executable testSGroup
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSGroup.dir/link.txt --verbose=1
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolSurf.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSGroup.dir/link.d CMakeFiles/testSGroup.dir/testSGroup.cpp.o -o testSGroup  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 57%] Built target testSGroup
+make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 58%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
+[ 57%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/test1.cpp.o -MF CMakeFiles/testMolTransforms.dir/test1.cpp.o.d -o CMakeFiles/testMolTransforms.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/test1.cpp
-[ 58%] Linking CXX executable smiTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructTestCatch.dir/link.d CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 58%] Built target substructTestCatch
-[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolDescriptors.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 58%] Built target smiTestCatch
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o -MF CMakeFiles/Descriptors.dir/MolSurf.cpp.o.d -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolSurf.cpp
-[ 59%] Linking CXX executable testMHFPFingerprint
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -MF CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o.d -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/ReactionRunner.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 57%] Linking CXX executable v2MolSuppliers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/v2MolSuppliers.dir/link.txt --verbose=1
+[ 57%] Linking CXX executable multithreadedSupplierCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/multithreadedSupplierCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/v2MolSuppliers.dir/link.d CMakeFiles/v2MolSuppliers.dir/v2_suppliers_catch.cpp.o -o v2MolSuppliers  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target testMHFPFingerprint
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PreprocessRxn.cpp
-[ 59%] Linking CXX executable testSubstructMatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubstructMatch.dir/link.d CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 57%] Built target v2MolSuppliers
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Lipinski.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/multithreadedSupplierCatchTest.dir/link.d CMakeFiles/multithreadedSupplierCatchTest.dir/multithreaded_supplier_catch.cpp.o -o multithreadedSupplierCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target testSubstructMatch
+[ 57%] Built target multithreadedSupplierCatchTest
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MQN.cpp
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o
+[ 57%] Building CXX object Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolTransforms/CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/catch_tests.cpp
-[ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -MF CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o.d -o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/SanitizeRxn.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -MF CMakeFiles/ChemReactions.dir/PNGParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/PNGParser.cpp
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Lipinski.cpp.o -MF CMakeFiles/Descriptors.dir/Lipinski.cpp.o.d -o CMakeFiles/Descriptors.dir/Lipinski.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Lipinski.cpp
-[ 59%] Linking CXX executable testChemTransforms
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 57%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Property.cpp
+[ 58%] Linking CXX executable molfileStereoCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/molfileStereoCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molfileStereoCatchTest.dir/link.d CMakeFiles/molfileStereoCatchTest.dir/molfile_stereo_catch.cpp.o -o molfileStereoCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target testChemTransforms
+[ 58%] Built target molfileStereoCatchTest
 make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/DependInfo.cmake "--color="
-[ 59%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdfragcatalog_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -MF CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o.d -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o
+[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/catch_tests.cpp
-[ 59%] Linking CXX executable chemTransformsTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -MF CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o.d -o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/CDXMLParser.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chemTransformsTestCatch.dir/link.d CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -o chemTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable testMolWriter
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolWriter.dir/link.d CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target chemTransformsTestCatch
+[ 58%] Built target testMolWriter
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
+[ 58%] Linking CXX executable testMHFPFingerprint
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMHFPFingerprint.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMHFPFingerprint.dir/link.d CMakeFiles/testMHFPFingerprint.dir/testMHFPFingerprint.cpp.o -o testMHFPFingerprint  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 58%] Built target testMHFPFingerprint
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
+[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp
-[ 59%] Linking CXX executable testMolTransforms
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target testMolTransforms
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
+[ 58%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
+[ 58%] Building CXX object Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -MF CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o.d -o CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF/testMultiThread.cpp
-[ 59%] Linking CXX executable molTransformsTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 58%] Linking CXX executable testFragCatalog
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1
+[ 58%] Linking CXX executable filterCatalogTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/filterCatalogTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFragCatalog.dir/link.d CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog  ../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 58%] Built target testFragCatalog
+[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AtomFeat.cpp
+[ 59%] Linking CXX executable cdxmlParserCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlParserCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/filterCatalogTest.dir/link.d CMakeFiles/filterCatalogTest.dir/filtercatalogtest.cpp.o -o filterCatalogTest  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target molTransformsTestCatch
+[ 59%] Built target filterCatalogTest
 make  -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake "--color="
@@ -5251,21 +5221,9 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -MF CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o.d -o CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC  -fpermissive  -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/Enumerate.cpp
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EnumerationPickler.cpp
-[ 59%] Linking CXX executable fpGenTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cdxmlParserCatchTest.dir/link.d CMakeFiles/cdxmlParserCatchTest.dir/cdxml_parser_catch.cpp.o -o cdxmlParserCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target fpGenTestCatch
-[ 59%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DChemReactions_EXPORTS -DRDKIT_CHEMREACTIONS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -MF CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o.d -o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/EvenSamplePairs.cpp
-[ 59%] Linking CXX executable forceFieldHelpersCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1
+[ 59%] Built target cdxmlParserCatchTest
 make  -f Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/build.make Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/DependInfo.cmake "--color="
@@ -5274,9 +5232,8 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ForceFieldHelpers/CrystalFF/CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -MF CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o.d -o CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalFF.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target forceFieldHelpersCatch
+[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/OxidationNumbers.cpp
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake "--color="
@@ -5285,50 +5242,29 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 59%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -MF CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o.d -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp
-[ 59%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfragcatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o  ../../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target rdfragcatalog
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o -MF CMakeFiles/Descriptors.dir/MQN.cpp.o.d -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MQN.cpp
-[ 59%] Linking CXX executable fpTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpTestCatch.dir/link.d CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 59%] Linking CXX executable graphmolTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1
+[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o -MF CMakeFiles/Descriptors.dir/DCLV.cpp.o.d -o CMakeFiles/Descriptors.dir/DCLV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/DCLV.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTest1.dir/link.d CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../lib/libRDKitForceField.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 59%] Built target fpTestCatch
-[ 59%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o
+[ 59%] Built target graphmolTest1
 make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/depend
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Property.cpp.o -MF CMakeFiles/Descriptors.dir/Property.cpp.o.d -o CMakeFiles/Descriptors.dir/Property.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Property.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 60%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
-[ 60%] Linking CXX executable testFingerprintGenerators
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 60%] Built target testFingerprintGenerators
 make  -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 60%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/DistGeomHelpers/CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -MF CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/catch_tests.cpp
 [ 60%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_MAX_ARITY=32 -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDistGeom_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -MF CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o.d -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp
-[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR2D.cpp
-[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Data3Ddescriptors.cpp
-[ 60%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 60%] Built target testMMFFForceFieldHelpersMultiThread
 make  -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake "--color="
@@ -5337,711 +5273,830 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 60%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -MF CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o.d -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testMolAlign.cpp
-[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -MF CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o.d -o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MolData3Ddescriptors.cpp
-[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -MF CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o.d -o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/USRDescriptor.cpp
+[ 60%] Linking CXX executable testPropertyLists
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPropertyLists.dir/link.txt --verbose=1
+[ 60%] Linking CXX executable testMolTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPropertyLists.dir/link.d CMakeFiles/testPropertyLists.dir/testPropertyLists.cpp.o -o testPropertyLists  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolTransforms.dir/link.d CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 60%] Built target testMolTransforms
+[ 60%] Built target testPropertyLists
 make  -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/DependInfo.cmake "--color="
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/EEM.cpp
 [ 60%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/catch_tests.cpp
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PBF.cpp
+[ 60%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o -MF CMakeFiles/Descriptors.dir/PMI.cpp.o.d -o CMakeFiles/Descriptors.dir/PMI.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PMI.cpp
+[ 60%] Linking CXX executable testMolSupplier
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1
+[ 61%] Linking CXX executable testMMFFForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1
+[ 61%] Linking CXX executable molTransformsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTransformsTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolSupplier.dir/link.d CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
+[ 61%] Built target testMolSupplier
+[ 61%] Linking CXX executable forceFieldHelpersCatch
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/forceFieldHelpersCatch.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o -MF CMakeFiles/Descriptors.dir/RDF.cpp.o.d -o CMakeFiles/Descriptors.dir/RDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/RDF.cpp
+[ 61%] Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTransformsTestCatch.dir/link.d CMakeFiles/molTransformsTestCatch.dir/catch_tests.cpp.o -o molTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceField.dir/link.d CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 61%] Built target molTransformsTestCatch
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o -MF CMakeFiles/Descriptors.dir/MORSE.cpp.o.d -o CMakeFiles/Descriptors.dir/MORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MORSE.cpp
+[ 61%] Built target testMMFFForceField
 make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/forceFieldHelpersCatch.dir/link.d CMakeFiles/forceFieldHelpersCatch.dir/catch_tests.cpp.o -o forceFieldHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 60%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -MF CMakeFiles/Descriptors.dir/AtomFeat.cpp.o.d -o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AtomFeat.cpp
-[ 61%] Linking CXX executable graphmolMolOpsTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMolOpsTest.dir/link.d CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target graphmolMolOpsTest
+make  -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build
+[ 61%] Built target forceFieldHelpersCatch
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/DependInfo.cmake "--color="
+[ 61%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdfragcatalog.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o  ../../../../lib/libRDKitFragCatalog.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o -MF CMakeFiles/testFeatures.dir/testFeatures.cpp.o.d -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 61%] Built target rdfragcatalog
 [ 61%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -MF CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o.d -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -MF CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o.d -o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/OxidationNumbers.cpp
-[ 61%] Linking CXX executable fileParsersCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
-[ 61%] Linking CXX executable testCrystalForceField
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCrystalForceField.dir/link.d CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -o testCrystalForceField  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/GETAWAY.cpp
+[ 62%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
+[ 63%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
+[ 63%] Linking CXX executable graphmoltestPickler
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestPickler.dir/link.d CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target testCrystalForceField
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 63%] Built target graphmoltestPickler
+[ 63%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
+[ 63%] Linking CXX executable testMMFFForceFieldHelpersMultiThread
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.txt --verbose=1
+[ 63%] Built target ChemReactions
 make  -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
+[ 63%] Linking CXX executable testCrystalForceField
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCrystalForceField.dir/link.txt --verbose=1
+[ 63%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/test1.cpp.o -MF CMakeFiles/testMolCatalog.dir/test1.cpp.o.d -o CMakeFiles/testMolCatalog.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/test1.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/link.d CMakeFiles/testMMFFForceFieldHelpersMultiThread.dir/testMultiThread.cpp.o -o testMMFFForceFieldHelpersMultiThread  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target fileParsersCatchTest
+[ 63%] Built target testMMFFForceFieldHelpersMultiThread
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 63%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCrystalForceField.dir/link.d CMakeFiles/testCrystalForceField.dir/testCrystalFF.cpp.o -o testCrystalForceField  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 63%] Built target testCrystalForceField
 make  -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
+[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o -MF CMakeFiles/FMCS.dir/FMCS.cpp.o.d -o CMakeFiles/FMCS.dir/FMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/FMCS.cpp
-[ 61%] Linking CXX executable fileParsersTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
-[ 61%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
+[ 63%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o -MF CMakeFiles/FMCS.dir/Seed.cpp.o.d -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Seed.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 63%] Linking CXX executable graphmoltestChirality
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1
+[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmoltestChirality.dir/link.d CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target fileParsersTest1
+[ 64%] Built target graphmoltestChirality
+[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
+[ 64%] Linking CXX executable fpGenTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpGenTestCatch.dir/link.txt --verbose=1
+[ 64%] Linking CXX executable substructTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructTestCatch.dir/link.txt --verbose=1
+[ 64%] Linking CXX executable depictorCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/depictorCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructTestCatch.dir/link.d CMakeFiles/substructTestCatch.dir/catch_tests.cpp.o -o substructTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpGenTestCatch.dir/link.d CMakeFiles/fpGenTestCatch.dir/fpgen_catch_tests.cpp.o -o fpGenTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 64%] Built target substructTestCatch
+[ 64%] Built target fpGenTestCatch
 make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/DependInfo.cmake "--color="
+[ 64%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build.make Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
+[ 64%] Building CXX object Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolHash/CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/catch_tests.cpp
-[ 61%] Linking CXX executable testFingerprints
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 64%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/depictorCatch.dir/link.d CMakeFiles/depictorCatch.dir/catch_tests.cpp.o -o depictorCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target testFingerprints
+[ 64%] Built target depictorCatch
+[ 65%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp
 make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMMPA_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MMPA_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/CMakeFiles/MMPA.dir/MMPA.cpp.o -MF CMakeFiles/MMPA.dir/MMPA.cpp.o.d -o CMakeFiles/MMPA.dir/MMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DCLV.cpp.o -MF CMakeFiles/Descriptors.dir/DCLV.cpp.o.d -o CMakeFiles/Descriptors.dir/DCLV.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/DCLV.cpp
-[ 61%] Linking CXX executable testMMFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/EEM.cpp.o -MF CMakeFiles/Descriptors.dir/EEM.cpp.o.d -o CMakeFiles/Descriptors.dir/EEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/EEM.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpers.dir/link.d CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 65%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalMCES.cpp
+[ 65%] Linking CXX executable testChemTransforms
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testChemTransforms.dir/link.d CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target testMMFFForceFieldHelpers
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/depend
+[ 65%] Built target testChemTransforms
+make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/DependInfo.cmake "--color="
+[ 65%] Linking CXX executable chemTransformsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemTransformsTestCatch.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/build
+make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalMCES.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PBF.cpp.o -MF CMakeFiles/Descriptors.dir/PBF.cpp.o.d -o CMakeFiles/Descriptors.dir/PBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PBF.cpp
-[ 61%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/PMI.cpp.o -MF CMakeFiles/Descriptors.dir/PMI.cpp.o.d -o CMakeFiles/Descriptors.dir/PMI.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/PMI.cpp
-[ 61%] Linking CXX executable testShapeHelpers
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chemTransformsTestCatch.dir/link.d CMakeFiles/chemTransformsTestCatch.dir/catch_tests.cpp.o -o chemTransformsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Built target chemTransformsTestCatch
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp
+[ 65%] Linking CXX executable fpTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpTestCatch.dir/link.txt --verbose=1
+[ 65%] Linking CXX executable testSubstructMatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1
+[ 65%] Linking CXX executable testShapeHelpers
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testShapeHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSubstructMatch.dir/link.d CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testShapeHelpers.dir/link.d CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -o testShapeHelpers  ../../../lib/libRDKitShapeHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 61%] Built target testShapeHelpers
-[ 62%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -MF CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o.d -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
-[ 62%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -MF CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o.d -o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/AUTOCORR3D.cpp
-[ 63%] Linking CXX shared library ../../../lib/libRDKitChemReactions.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1
-[ 63%] Linking CXX executable testUFFForceFieldHelpers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
-[ 63%] Linking CXX executable molAlignCatchTest
+[ 65%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
+[ 65%] Built target testSubstructMatch
+[ 65%] Built target testShapeHelpers
+[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
+[ 65%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalCluster.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fpTestCatch.dir/link.d CMakeFiles/fpTestCatch.dir/catch_tests.cpp.o -o fpTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 65%] Built target fpTestCatch
+[ 65%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
+[ 65%] Linking CXX executable molAlignCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/molAlignCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 65%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Built target testUFFForceFieldHelpers
-make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/depend
+[ 65%] Linking CXX executable testMolAlign
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
+[ 65%] Built target molAlignCatchTest
+[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
+[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 66%] Built target testMolAlign
+[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.cpp
+[ 66%] Linking CXX executable testMMFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1
+[ 66%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMFFForceFieldHelpers.dir/link.d CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
+[ 66%] Built target testMMFFForceFieldHelpers
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/build
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearch_details.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitChemReactions.so.1 -o ../../../lib/libRDKitChemReactions.so.1.2024.09.6 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o CMakeFiles/ChemReactions.dir/PreprocessRxn.cpp.o CMakeFiles/ChemReactions.dir/SanitizeRxn.cpp.o CMakeFiles/ChemReactions.dir/PNGParser.cpp.o CMakeFiles/ChemReactions.dir/CDXMLParser.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/Enumerate.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EnumerationPickler.cpp.o CMakeFiles/ChemReactions.dir/Enumerate/EvenSamplePairs.cpp.o  ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1 ../../../lib/libRDKitChemReactions.so
+[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
+[ 67%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
+[ 67%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/PositionVariation.cpp
+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Built target ChemReactions
+make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 67%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Deprotect.cpp
 make  -f Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build.make Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
+[ 67%] Building CXX object Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Trajectory/CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -MF CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o.d -o CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory/trajectoryTest.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molAlignCatchTest.dir/link.d CMakeFiles/molAlignCatchTest.dir/catch_tests.cpp.o -o molAlignCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Built target molAlignCatchTest
+[ 67%] Linking CXX executable testMolCatalog
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
+[ 67%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -MF CMakeFiles/molInterchangeTest1.dir/test1.cpp.o.d -o CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/test1.cpp
-[ 63%] Linking CXX executable testMolCatalog
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1
-[ 63%] Linking CXX executable testMolAlign
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolCatalog.dir/link.d CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog  ../../../lib/libRDKitMolCatalog.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Built target testMolCatalog
-[ 63%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolAlign.dir/link.d CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpace.cpp
+[ 67%] Built target testMolCatalog
+[ 67%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp
+[ 67%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp
+[ 67%] Linking CXX executable testFingerprintGenerators
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprintGenerators.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprintGenerators.dir/link.d CMakeFiles/testFingerprintGenerators.dir/testFingerprintGenerators.cpp.o -o testFingerprintGenerators  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 67%] Built target testFingerprintGenerators
+[ 67%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.cpp
+[ 67%] Linking CXX executable smiTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1
+[ 67%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
+[ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTest1.dir/link.d CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Built target testMolAlign
+[ 67%] Built target smiTest1
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build.make Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 63%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
+[ 67%] Building CXX object Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/External/rapidjson-1.1.0/include -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInterchange/CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -MF CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o.d -o CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/molinterchange_catch.cpp
-[ 64%] Linking CXX executable testFeatures
+[ 67%] Linking CXX executable smiTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTestCatch.dir/link.txt --verbose=1
+[ 68%] Linking CXX executable testFeatures
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFeatures.dir/link.d CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures  ../../../lib/libRDKitMolChemicalFeatures.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/smiTestCatch.dir/link.d CMakeFiles/smiTestCatch.dir/catch_tests.cpp.o -o smiTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Built target testFeatures
-[ 64%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSet.cpp
-[ 64%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DFMCS_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_FMCS_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -MF CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o.d -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/SubstructMatchCustom.cpp
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/RDF.cpp.o -MF CMakeFiles/Descriptors.dir/RDF.cpp.o.d -o CMakeFiles/Descriptors.dir/RDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/RDF.cpp
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MORSE.cpp.o -MF CMakeFiles/Descriptors.dir/MORSE.cpp.o.d -o CMakeFiles/Descriptors.dir/MORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/MORSE.cpp
-[ 64%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Built target MMPA
+[ 68%] Built target smiTestCatch
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake "--color="
+[ 68%] Built target testFeatures
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
+[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.cpp
+[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/rdmolops.cpp.o -MF CMakeFiles/rdmolops.dir/rdmolops.cpp.o.d -o CMakeFiles/rdmolops.dir/rdmolops.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolops.cpp
-[ 64%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
+[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
+[ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
+[ 68%] Linking CXX executable testUFFForceFieldHelpers
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testUFFForceFieldHelpers.dir/link.d CMakeFiles/testUFFForceFieldHelpers.dir/testUFFHelpers.cpp.o -o testUFFForceFieldHelpers  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 68%] Built target testUFFForceFieldHelpers
+[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp
+[ 68%] Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDistGeom.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDistGeom.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o  ../../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Built target rdDistGeom
+[ 68%] Built target rdDistGeom
+[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
 make  -f Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build.make Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 64%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
+[ 68%] Building CXX object Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Abbreviations/CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -MF CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o.d -o CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/catch_tests.cpp
-[ 64%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Synthon.cpp
-[ 64%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -MF CMakeFiles/Descriptors.dir/GETAWAY.cpp.o.d -o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/GETAWAY.cpp
-[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/WHIM.cpp.o -MF CMakeFiles/Descriptors.dir/WHIM.cpp.o.d -o CMakeFiles/Descriptors.dir/WHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/WHIM.cpp
-[ 65%] Linking CXX executable trajectoryTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
-[ 65%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDescriptors_EXPORTS -DRDKIT_DESCRIPTORS_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -MF CMakeFiles/Descriptors.dir/CoulombMat.cpp.o.d -o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/CoulombMat.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 68%] Linking CXX shared library ../../../lib/libRDKitMMPA.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/MMPA.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMMPA.so.1 -o ../../../lib/libRDKitMMPA.so.1.2024.09.6 CMakeFiles/MMPA.dir/MMPA.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitMMPA.so.1 ../../../lib/libRDKitMMPA.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 65%] Built target trajectoryTest
+[ 68%] Built target MMPA
+[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ChiralityOps.cpp
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 65%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolProcessing_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLPROCESSING_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -MF CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o.d -o CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/MolProcessing.cpp
-[ 65%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalCluster.cpp
-[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalButinaCluster.cpp
-[ 66%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -MF CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o.d -o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/lap_a_la_scipy.cpp
-[ 66%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSearcher.cpp
-[ 67%] Linking CXX executable molHashCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molHashCatchTest.dir/link.d CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target molHashCatchTest
 make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build.make Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolInteractionFields/CMakeFiles/testMIF.dir/testMIF.cpp.o -MF CMakeFiles/testMIF.dir/testMIF.cpp.o.d -o CMakeFiles/testMIF.dir/testMIF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/testMIF.cpp
-[ 67%] Linking CXX executable distGeomHelpersCatch
+[ 69%] Linking CXX executable trajectoryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory && /usr/bin/cmake -E cmake_link_script CMakeFiles/trajectoryTest.dir/link.txt --verbose=1
+[ 69%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
+[ 69%] Linking CXX executable distGeomHelpersCatch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/distGeomHelpersCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/distGeomHelpersCatch.dir/link.d CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target distGeomHelpersCatch
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.6 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+[ 69%] Linking CXX executable testFingerprints
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/trajectoryTest.dir/link.d CMakeFiles/trajectoryTest.dir/trajectoryTest.cpp.o -o trajectoryTest  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.cpp
-[ 67%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -MF CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o.d -o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/PartitionSet.cpp
-[ 67%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o -MF CMakeFiles/rdmolops.dir/MolOps.cpp.o.d -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolOps.cpp
-[ 67%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RASCALMCES_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -MF CMakeFiles/RascalMCES.dir/RascalResult.cpp.o.d -o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/RascalResult.cpp
-[ 67%] Linking CXX executable testDistGeomHelpers
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeomHelpers.dir/link.d CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target testDistGeomHelpers
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
+[ 69%] Built target trajectoryTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/depend
+[ 69%] Built target Deprotect
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/distGeomHelpersCatch.dir/link.d CMakeFiles/distGeomHelpersCatch.dir/catch_tests.cpp.o -o distGeomHelpersCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 69%] Built target distGeomHelpersCatch
+[ 69%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinParser.cpp
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/testReaction.cpp.o -MF CMakeFiles/testReaction.dir/testReaction.cpp.o.d -o CMakeFiles/testReaction.dir/testReaction.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testReaction.cpp
+[ 69%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFingerprints.dir/link.d CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints  ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 69%] Built target testFingerprints
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake "--color="
-[ 67%] Linking CXX executable molInterchangeTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -MF CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o.d -o CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testReactionFingerprints.cpp
-[ 67%] Linking CXX executable molInterchangeCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target molInterchangeTest1
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -MF CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o.d -o CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate/testEnumerate.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target molInterchangeCatchTest
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
+[ 69%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ChemReactions/CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/catch_tests.cpp
-[ 67%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinWriter.cpp
-[ 67%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceSubstructureSearcher.cpp
-[ 67%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolProcessing.so.1 -o ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so
+[ 69%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
+[ 70%] Linking CXX executable molHashCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash && /usr/bin/cmake -E cmake_link_script CMakeFiles/molHashCatchTest.dir/link.txt --verbose=1
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
+[ 70%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
+[ 70%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molHashCatchTest.dir/link.d CMakeFiles/molHashCatchTest.dir/catch_tests.cpp.o -o molHashCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target MolProcessing
+[ 70%] Built target molHashCatchTest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/MolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/MolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Pipeline.cpp
-[ 67%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
+make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
+[ 70%] Linking CXX executable graphmolTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTestsCatch.dir/link.txt --verbose=1
+make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
+In file included from /usr/include/c++/14/vector:62,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
+In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
+    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
+    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
+    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
+    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
+    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
+    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
+    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
+  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
+      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In file included from /usr/include/x86_64-linux-gnu/c++/14/bits/c++allocator.h:33,
+                 from /usr/include/c++/14/bits/allocator.h:46,
+                 from /usr/include/c++/14/vector:63:
+In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
+    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
+    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
+    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
+    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
+    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
+/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
+  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
+      |                                                       ^
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolTestsCatch.dir/link.d CMakeFiles/graphmolTestsCatch.dir/catch_graphmol.cpp.o -o graphmolTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Linking CXX executable testDistGeomHelpers
+[ 70%] Built target graphmolTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDistGeomHelpers.dir/link.d CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers  ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Built target testDistGeomHelpers
+make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 70%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.cpp
+[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
+[ 71%] Linking CXX shared library ../../../lib/libRDKitFMCS.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/FMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitFMCS.so.1 -o ../../../lib/libRDKitFMCS.so.1.2024.09.6 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1 ../../../lib/libRDKitFMCS.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target FMCS
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend
+[ 71%] Built target FMCS
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.cpp
+[ 71%] Linking CXX executable molInterchangeTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeTest1.dir/link.txt --verbose=1
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
+make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeTest1.dir/link.d CMakeFiles/molInterchangeTest1.dir/test1.cpp.o -o molInterchangeTest1  ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2D.cpp
-[ 67%] Linking CXX executable testAbbreviations
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAbbreviations.dir/link.d CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -o testAbbreviations  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+[ 71%] Built target molInterchangeTest1
+[ 71%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
+[ 71%] Linking CXX executable chiralityTestsCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/chiralityTestsCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/chiralityTestsCatch.dir/link.d CMakeFiles/chiralityTestsCatch.dir/catch_chirality.cpp.o -o chiralityTestsCatch  ../RDGeneral/librdkitCatch.a ../../lib/libRDKitCIPLabeler.so.1.2024.09.6 ../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target testAbbreviations
+[ 71%] Built target chiralityTestsCatch
+[ 71%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
+[ 71%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
+[ 71%] Linking CXX shared library ../../../lib/libRDKitMolProcessing.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolProcessing.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target SynthonSpaceSearch
 make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
+[ 71%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -MF CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o.d -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/testFMCS_Unit.cpp
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -MF CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o.d -o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/MolStandardize.cpp
-[ 67%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SYNTHONSPACESEARCH_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -MF CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o.d -o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/SynthonSpaceFingerprintSearcher.cpp
-[ 67%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Metal.cpp.o -MF CMakeFiles/MolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/MolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Metal.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolProcessing.so.1 -o ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 CMakeFiles/MolProcessing.dir/MolProcessing.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../lib/libRDKitMolProcessing.so.1 ../../../lib/libRDKitMolProcessing.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target MolProcessing
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
+[ 71%] Linking CXX executable molInterchangeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange && /usr/bin/cmake -E cmake_link_script CMakeFiles/molInterchangeCatchTest.dir/link.txt --verbose=1
 make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
+[ 71%] Building CXX object Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdFMCS_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -MF CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o.d -o CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/rdFMCS.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molInterchangeCatchTest.dir/link.d CMakeFiles/molInterchangeCatchTest.dir/molinterchange_catch.cpp.o -o molInterchangeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 71%] Built target molInterchangeCatchTest
 make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
+[ 71%] Building CXX object Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/testFMCS.cpp.o -MF CMakeFiles/FMCStest.dir/testFMCS.cpp.o.d -o CMakeFiles/FMCStest.dir/testFMCS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test/testFMCS.cpp
-[ 67%] Linking CXX executable testReactionFingerprints
+[ 71%] Linking CXX executable testReactionFingerprints
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReactionFingerprints.dir/link.txt --verbose=1
-[ 67%] Linking CXX executable testMIF
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReactionFingerprints.dir/link.d CMakeFiles/testReactionFingerprints.dir/testReactionFingerprints.cpp.o -o testReactionFingerprints  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target testReactionFingerprints
-make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build.make Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MMPA/CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -MF CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o.d -o CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/MMPA_UnitTest.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Built target testMIF
-make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build.make Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 67%] Building CXX object Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMMPA_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MMPA/Wrap/CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -MF CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o.d -o CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/rdMMPA.cpp
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -MF CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o.d -o CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/MolEnumerator.cpp
-[ 68%] Linking CXX executable testEnumeration
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumeration.dir/link.txt --verbose=1
-[ 68%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolops_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -MF CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o.d -o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ChiralityOps.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEnumeration.dir/link.d CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -o testEnumeration  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Built target testEnumeration
-make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/depend
+[ 71%] Built target testReactionFingerprints
+[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
+make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/build
+make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DDeprotect_EXPORTS -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/CMakeFiles/Deprotect.dir/Deprotect.cpp.o -MF CMakeFiles/Deprotect.dir/Deprotect.cpp.o.d -o CMakeFiles/Deprotect.dir/Deprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Deprotect.cpp
-[ 68%] Linking CXX shared library ../../../lib/libRDKitSynthonSpaceSearch.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/SynthonSpaceSearch.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSynthonSpaceSearch.so.1 -o ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearch_details.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpace.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSet.cpp.o CMakeFiles/SynthonSpaceSearch.dir/Synthon.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceSubstructureSearcher.cpp.o CMakeFiles/SynthonSpaceSearch.dir/SynthonSpaceFingerprintSearcher.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1 ../../../lib/libRDKitSynthonSpaceSearch.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Built target SynthonSpaceSearch
+[ 72%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build.make Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
+[ 72%] Building CXX object Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolProcessing/CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -MF CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o.d -o CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/processing_tests.cpp
-[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/MolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/MolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Normalize.cpp
-[ 68%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMarvinParser_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MARVINPARSER_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -MF CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o.d -o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/MarvinDefs.cpp
-[ 68%] Linking CXX executable testMMPA
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMPA.dir/link.d CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -o testMMPA  ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Built target testMMPA
 make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build.make Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
+[ 72%] Building CXX object Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolProcessing_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolProcessing/Wrap/CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -MF CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o.d -o CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/rdMolProcessing.cpp
-[ 68%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Validate.cpp.o -MF CMakeFiles/MolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/MolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Validate.cpp
-[ 68%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1
-[ 68%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Built target RascalMCES
-make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Building CXX object Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSynthonSpaceSearch_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SynthonSpaceSearch/Wrap/CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -MF CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o.d -o CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/Wrap/rdSynthonSpaceSearch.cpp
-[ 68%] Linking CXX executable FMCStest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 68%] Built target FMCStest
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 69%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
-[ 70%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Charge.cpp.o -MF CMakeFiles/MolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/MolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Charge.cpp
-[ 70%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o  ../../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target rdMMPA
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
-[ 70%] Linking CXX shared library ../../../lib/libRDKitDeprotect.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/Deprotect.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Deprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDeprotect.so.1 -o ../../../lib/libRDKitDeprotect.so.1.2024.09.6 CMakeFiles/Deprotect.dir/Deprotect.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../lib/libRDKitDeprotect.so.1 ../../../lib/libRDKitDeprotect.so
+[ 72%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
+[ 72%] Linking CXX executable testMMPA
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMPA.dir/link.txt --verbose=1
+[ 72%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target Deprotect
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
+[ 72%] Built target MolEnumerator
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMMPA.dir/link.d CMakeFiles/testMMPA.dir/MMPA_UnitTest.cpp.o -o testMMPA  ../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
-[ 70%] Linking CXX executable testMolProcessing
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 72%] Built target testMMPA
+[ 72%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Descriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2024.09.6 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Built target testMolProcessing
-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/depend
+[ 72%] Built target Descriptors
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/DependInfo.cmake "--color="
-[ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -MF CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o.d -o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/PositionVariation.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build.make Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/build
+make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 70%] Building CXX object Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Deprotect/CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -MF CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o.d -o CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/deprotectTest.cpp
-[ 70%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -MF CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o.d -o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/LinkNode.cpp
-[ 70%] Linking CXX shared library ../../../lib/libRDKitDescriptors.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1
-[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
-[ 71%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolEnumerator_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLENUMERATOR_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -MF CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o.d -o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/RepeatUnit.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target rdFMCS
-make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/depend
+[ 72%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build.make Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/build
+make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -MF CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o.d -o CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rdDeprotect.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/Descriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitDescriptors.so.1 -o ../../../lib/libRDKitDescriptors.so.1.2024.09.6 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/BCUT.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o CMakeFiles/Descriptors.dir/Property.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR2D.cpp.o CMakeFiles/Descriptors.dir/Data3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/MolData3Ddescriptors.cpp.o CMakeFiles/Descriptors.dir/USRDescriptor.cpp.o CMakeFiles/Descriptors.dir/AtomFeat.cpp.o CMakeFiles/Descriptors.dir/OxidationNumbers.cpp.o CMakeFiles/Descriptors.dir/DCLV.cpp.o CMakeFiles/Descriptors.dir/EEM.cpp.o CMakeFiles/Descriptors.dir/PBF.cpp.o CMakeFiles/Descriptors.dir/PMI.cpp.o CMakeFiles/Descriptors.dir/AUTOCORR3D.cpp.o CMakeFiles/Descriptors.dir/RDF.cpp.o CMakeFiles/Descriptors.dir/MORSE.cpp.o CMakeFiles/Descriptors.dir/GETAWAY.cpp.o CMakeFiles/Descriptors.dir/WHIM.cpp.o CMakeFiles/Descriptors.dir/CoulombMat.cpp.o  ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1 ../../../lib/libRDKitDescriptors.so
+[ 72%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
+[ 72%] Linking CXX executable testAbbreviations
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAbbreviations.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAbbreviations.dir/link.d CMakeFiles/testAbbreviations.dir/catch_tests.cpp.o -o testAbbreviations  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitAbbreviations.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target Descriptors
+[ 72%] Built target testAbbreviations
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
+[ 72%] Linking CXX executable fileParsersTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o -MF CMakeFiles/testDescriptors.dir/test.cpp.o.d -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test.cpp
-[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/MolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Tautomer.cpp
-[ 71%] Linking CXX executable testRascalCluster
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 72%] Linking CXX shared module ../../../../rdkit/Chem/rdMMPA.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMMPA.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersTest1.dir/link.d CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target testRascalCluster
+[ 72%] Built target fileParsersTest1
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
-[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target rdMolProcessing
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -MF CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o.d -o CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR2D.cpp
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testATF.dir/testATF.cpp.o -MF CMakeFiles/testATF.dir/testATF.cpp.o.d -o CMakeFiles/testATF.dir/testATF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testATF.cpp
-[ 71%] Linking CXX executable testFMCS
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
-[ 71%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMMPA.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMMPA.so CMakeFiles/rdMMPA.dir/rdMMPA.cpp.o  ../../../../lib/libRDKitMMPA.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target testFMCS
+[ 72%] Built target rdMMPA
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/depend
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o  ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/DependInfo.cmake "--color="
-[ 71%] Built target rdSynthonSpaceSearch
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testBCUT.cpp
+[ 72%] Linking CXX shared library ../../../lib/libRDKitRascalMCES.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/RascalMCES.dir/link.txt --verbose=1
+[ 72%] Linking CXX executable deprotectTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
+[ 72%] Linking CXX executable fileParsersCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersCatchTest.dir/link.txt --verbose=1
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/build
-[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testBCUT.dir/testBCUT.cpp.o -MF CMakeFiles/testBCUT.dir/testBCUT.cpp.o.d -o CMakeFiles/testBCUT.dir/testBCUT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testBCUT.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
+[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testEEM.dir/testEEM.cpp.o -MF CMakeFiles/testEEM.dir/testEEM.cpp.o.d -o CMakeFiles/testEEM.dir/testEEM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testEEM.cpp
-[ 71%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp
-[ 71%] Building CXX object Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DEPROTECT_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdDeprotect_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Deprotect/Wrap/CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -MF CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o.d -o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/DeprotectWrap.cpp
-[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/MolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/MolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Fragment.cpp
-[ 71%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogEntry.cpp
-[ 71%] Linking CXX executable deprotectTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect && /usr/bin/cmake -E cmake_link_script CMakeFiles/deprotectTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/deprotectTest.dir/link.d CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/fileParsersCatchTest.dir/link.d CMakeFiles/fileParsersCatchTest.dir/file_parsers_catch.cpp.o -o fileParsersCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 71%] Built target deprotectTest
+[ 72%] Built target fileParsersCatchTest
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 72%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o -MF CMakeFiles/testPBF.dir/testPBF.cpp.o.d -o CMakeFiles/testPBF.dir/testPBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testPBF.cpp
+[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRascalMCES.so.1 -o ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 CMakeFiles/RascalMCES.dir/RascalMCES.cpp.o CMakeFiles/RascalMCES.dir/RascalCluster.cpp.o CMakeFiles/RascalMCES.dir/RascalButinaCluster.cpp.o CMakeFiles/RascalMCES.dir/lap_a_la_scipy.cpp.o CMakeFiles/RascalMCES.dir/PartitionSet.cpp.o CMakeFiles/RascalMCES.dir/RascalResult.cpp.o  ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../lib/libRDKitRascalMCES.so.1 ../../../lib/libRDKitRascalMCES.so
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/deprotectTest.dir/link.d CMakeFiles/deprotectTest.dir/deprotectTest.cpp.o -o deprotectTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDeprotect.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testPBF.dir/testPBF.cpp.o -MF CMakeFiles/testPBF.dir/testPBF.cpp.o.d -o CMakeFiles/testPBF.dir/testPBF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testPBF.cpp
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -MF CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o.d -o CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDFcustom.cpp
-[ 73%] Linking CXX executable testATF
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Built target testATF
+[ 73%] Built target RascalMCES
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o -MF CMakeFiles/testRDF.dir/testRDF.cpp.o.d -o CMakeFiles/testRDF.dir/testRDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDF.cpp
-[ 73%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Built target rdRascalMCES
+[ 73%] Built target deprotectTest
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/DependInfo.cmake "--color="
+[ 74%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o
+[ 74%] Linking CXX executable testEnumeration
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -MF CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o.d -o CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDFcustom.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEnumeration.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o
+[ 74%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testRDF.dir/testRDF.cpp.o -MF CMakeFiles/testRDF.dir/testRDF.cpp.o.d -o CMakeFiles/testRDF.dir/testRDF.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testRDF.cpp
+[ 74%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testMORSE.dir/testMORSE.cpp.o -MF CMakeFiles/testMORSE.dir/testMORSE.cpp.o.d -o CMakeFiles/testMORSE.dir/testMORSE.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testMORSE.cpp
-[ 73%] Linking CXX executable testAUTOCORR2D
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR2D.dir/link.d CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 73%] Built target testAUTOCORR2D
-[ 73%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogParams.cpp
-[ 74%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DUtils.cpp
-[ 74%] Linking CXX executable testBCUT
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBCUT.dir/link.d CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 74%] Linking CXX executable testMIF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMIF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEnumeration.dir/link.d CMakeFiles/testEnumeration.dir/Enumerate/testEnumerate.cpp.o -o testEnumeration  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 74%] Built target testBCUT
+[ 74%] Built target testEnumeration
 make  -f Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/DependInfo.cmake "--color="
@@ -6050,916 +6105,854 @@
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 75%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/test3D.dir/test3D.cpp.o -MF CMakeFiles/test3D.dir/test3D.cpp.o.d -o CMakeFiles/test3D.dir/test3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/test3D.cpp
-[ 75%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog/FragmentCatalogUtils.cpp
-[ 76%] Linking CXX executable testEEM
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
-[ 76%] Linking CXX shared library ../../../lib/libRDKitMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolEnumerator.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEEM.dir/link.d CMakeFiles/testEEM.dir/testEEM.cpp.o -o testEEM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMIF.dir/link.d CMakeFiles/testMIF.dir/testMIF.cpp.o -o testMIF  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolInteractionFields.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 76%] Linking CXX executable testRascalMCES
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
-[ 76%] Built target testEEM
+[ 75%] Built target testMIF
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testWHIM.dir/testWHIM.cpp.o -MF CMakeFiles/testWHIM.dir/testWHIM.cpp.o.d -o CMakeFiles/testWHIM.dir/testWHIM.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testWHIM.cpp
-[ 77%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogEntry.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolEnumerator.so.1 -o ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 CMakeFiles/MolEnumerator.dir/MolEnumerator.cpp.o CMakeFiles/MolEnumerator.dir/PositionVariation.cpp.o CMakeFiles/MolEnumerator.dir/LinkNode.cpp.o CMakeFiles/MolEnumerator.dir/RepeatUnit.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1 ../../../lib/libRDKitMolEnumerator.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target MolEnumerator
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/build
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -MF CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o.d -o CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testGETAWAY.cpp
-[ 77%] Built target testRascalMCES
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -MF CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o.d -o CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testAUTOCORR3D.cpp
-[ 77%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogParams.cpp
-[ 77%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target rdmolops
+[ 76%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -MF CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o.d -o CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/testCoulombMat.cpp
-[ 77%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog/AcidBaseCatalogUtils.cpp
-[ 77%] Linking CXX executable testPBF
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1
-[ 77%] Linking CXX executable rxnTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPBF.dir/link.d CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target testPBF
+[ 76%] Built target MolDraw2D
 make  -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/Descriptors/CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/catch_tests.cpp
-[ 77%] Linking CXX executable testRDF
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDF.dir/link.d CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target testRDF
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/DependInfo.cmake "--color="
-[ 77%] Built target rxnTestCatch
-make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
-[ 77%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
+[ 76%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDescriptors_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -MF CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o.d -o CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
-[ 77%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MarvinParser.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target MarvinParser
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Linking CXX executable testMORSE
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
-[ 77%] Building CXX object Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolEnumerator/CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -MF CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o.d -o CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/enumerator_catch.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMORSE.dir/link.d CMakeFiles/testMORSE.dir/testMORSE.cpp.o -o testMORSE  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target testMORSE
-make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/depend
+make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build.make Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/build
+make  -f Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Building CXX object Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolEnumerator_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolEnumerator/Wrap/CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -MF CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o.d -o CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rdMolEnumerator.cpp
-[ 77%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogEntry.cpp
-[ 77%] Linking CXX executable testRDFcustom
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 77%] Built target testRDFcustom
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/depend
+[ 76%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DO3AAlign_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLALIGN_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -MF CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o.d -o CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogParams.cpp
-[ 79%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog/TransformCatalogUtils.cpp
-[ 79%] Linking CXX executable testWHIM
-[ 79%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogEntry.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 79%] Built target testWHIM
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/depend
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
-[ 80%] Linking CXX executable testGETAWAY
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target testGETAWAY
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/depend
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build
+make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -MF CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o.d -o CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/generic_tests.cpp
-[ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target rdDeprotect
-make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build
+make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
-[ 80%] Linking CXX executable testCoulombMat
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
-[ 80%] Linking CXX executable testAUTOCORR3D
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoulombMat.dir/link.d CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -o testCoulombMat  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target testCoulombMat
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend
+[ 76%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/catch_tests.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target testAUTOCORR3D
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend
+[ 77%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -MF CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o.d -o CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_catch.cpp
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build
+make  -f Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build.make Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
-[ 80%] Linking CXX executable test3D
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogParams.cpp
-[ 80%] Built target test3D
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend
+[ 77%] Building CXX object Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RascalMCES/CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -MF CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o.d -o CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/mces_cluster_catch.cpp
+[ 77%] Linking CXX executable testMolProcessing
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolProcessing.dir/link.txt --verbose=1
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build
+make  -f Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build.make Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolfiles.cpp
-[ 80%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
-[ 80%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolStandardize_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLSTANDARDIZE_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -MF CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o.d -o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog/TautomerCatalogUtils.cpp
-[ 80%] Linking CXX executable testDescriptors
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDescriptors.dir/link.d CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 80%] Built target testDescriptors
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
-[ 81%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Table.cpp
-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -MF CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/AtomSymbol.cpp
-[ 81%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
-[ 81%] Linking CXX executable descriptorsTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1
-[ 81%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawAnnotation.cpp
-[ 82%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/descriptorsTestCatch.dir/link.d CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 82%] Built target descriptorsTestCatch
-[ 82%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMol.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/O3AAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
+[ 77%] Building CXX object Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRascalMCES_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RascalMCES/Wrap/CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -MF CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o.d -o CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/rdRascalMCES.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolProcessing.dir/link.d CMakeFiles/testMolProcessing.dir/processing_tests.cpp.o -o testMolProcessing  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolProcessing.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDStreams.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 82%] Built target O3AAlign
-[ 82%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
-[ 82%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
-[ 83%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 77%] Built target testMolProcessing
+[ 77%] Linking CXX shared module ../../../../rdkit/Chem/rdDeprotect.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDeprotect.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdDeprotect.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdDeprotect.so CMakeFiles/rdDeprotect.dir/rdDeprotect.cpp.o CMakeFiles/rdDeprotect.dir/DeprotectWrap.cpp.o  ../../../../lib/libRDKitDeprotect.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target rdMolEnumerator
-make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color="
+[ 77%] Built target rdDeprotect
+[ 77%] Linking CXX executable testATF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testATF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testATF.dir/link.d CMakeFiles/testATF.dir/testATF.cpp.o -o testATF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -MF CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o.d -o CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testO3AAlign.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCH.cpp
-[ 83%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
+[ 77%] Linking CXX shared library ../../../lib/libRDKitMolStandardize.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolStandardize.dir/link.txt --verbose=1
+[ 77%] Built target testATF
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolStandardize.so.1 -o ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 CMakeFiles/MolStandardize.dir/Pipeline.cpp.o CMakeFiles/MolStandardize.dir/MolStandardize.cpp.o CMakeFiles/MolStandardize.dir/Metal.cpp.o CMakeFiles/MolStandardize.dir/Normalize.cpp.o CMakeFiles/MolStandardize.dir/Validate.cpp.o CMakeFiles/MolStandardize.dir/Charge.cpp.o CMakeFiles/MolStandardize.dir/Tautomer.cpp.o CMakeFiles/MolStandardize.dir/Fragment.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/FragmentCatalog/FragmentCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/AcidBaseCatalog/AcidBaseCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TransformCatalog/TransformCatalogUtils.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogEntry.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogParams.cpp.o CMakeFiles/MolStandardize.dir/TautomerCatalog/TautomerCatalogUtils.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1 ../../../lib/libRDKitMolStandardize.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target MolStandardize
-make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolAlign_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
-[ 83%] Linking CXX executable testGenericGroups
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target testGenericGroups
+[ 77%] Built target MolStandardize
+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
-[ 83%] Linking CXX executable testMrvToMol
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target testMrvToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
-[ 83%] Linking CXX executable cxsmilesTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Built target cxsmilesTest
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 83%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHCircleAndLine.cpp
-[ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
-[ 83%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
-[ 83%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
-In file included from /usr/include/boost/shared_ptr.hpp:17,
-                 from /usr/include/boost/python/converter/shared_ptr_to_python.hpp:12,
-                 from /usr/include/boost/python/converter/arg_to_python.hpp:15,
-                 from /usr/include/boost/python/call.hpp:15,
-                 from /usr/include/boost/python/object_core.hpp:14,
-                 from /usr/include/boost/python/args.hpp:22,
-                 from /usr/include/boost/python.hpp:11,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:32:
-In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
-    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
-/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::px' may be used uninitialized [-Wmaybe-uninitialized]
-  459 |     shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn )
-      |                                                                ~~^~
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
-   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
-      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In file included from /usr/include/boost/smart_ptr/shared_ptr.hpp:18:
-In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)',
-    inlined from 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
-    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
-/usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized]
-  438 |     shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_)
-      |                                                                 ~~^~~
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
-   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
-      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
-    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
-/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::px' may be used uninitialized [-Wmaybe-uninitialized]
-  459 |     shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn )
-      |                                                                ~~^~
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
-   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
-      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)',
-    inlined from 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
-    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
-/usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized]
-  438 |     shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_)
-      |                                                                 ~~^~~
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
-/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
-   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
-      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 84%] Linking CXX executable testMolEnumerator
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 84%] Built target testMolEnumerator
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build
+make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 84%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testCharge.cpp
-[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
-[ 84%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Mol.cpp
-[ 84%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawShape.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/depend
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testTautomer.cpp
-[ 85%] Linking CXX executable molNormalizeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 85%] Built target molNormalizeTest
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawText.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawText.cpp
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
-[ 85%] Linking CXX executable testO3AAlign
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
-In file included from /usr/include/c++/14/vector:62,
-                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:15:
-In static member function 'static _Up* std::__copy_move<_IsMove, true, std::random_access_iterator_tag>::__copy_m(_Tp*, _Tp*, _Up*) [with _Tp = int; _Up = int; bool _IsMove = false]',
-    inlined from '_OI std::__copy_move_a2(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:521:30,
-    inlined from '_OI std::__copy_move_a1(_II, _II, _OI) [with bool _IsMove = false; _II = int*; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:548:42,
-    inlined from '_OI std::__copy_move_a(_II, _II, _OI) [with bool _IsMove = false; _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:555:31,
-    inlined from '_OI std::copy(_II, _II, _OI) [with _II = __gnu_cxx::__normal_iterator<int*, vector<int> >; _OI = int*]' at /usr/include/c++/14/bits/stl_algobase.h:651:7,
-    inlined from 'static _ForwardIterator std::__uninitialized_copy<true>::__uninit_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:147:27,
-    inlined from '_ForwardIterator std::uninitialized_copy(_InputIterator, _InputIterator, _ForwardIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*]' at /usr/include/c++/14/bits/stl_uninitialized.h:185:15,
-    inlined from '_ForwardIterator std::__uninitialized_copy_a(_InputIterator, _InputIterator, _ForwardIterator, allocator<_Tp>&) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, vector<int> >; _ForwardIterator = int*; _Tp = int]' at /usr/include/c++/14/bits/stl_uninitialized.h:373:37,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1022:38,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/stl_algobase.h:452:30: warning: 'void* __builtin_memmove(void*, const void*, long unsigned int)' writing between 5 and 9223372036854775804 bytes into a region of size 0 overflows the destination [-Wstringop-overflow=]
-  452 |             __builtin_memmove(__result, __first, sizeof(_Tp) * _Num);
-      |             ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-In file included from /usr/include/x86_64-linux-gnu/c++/14/bits/c++allocator.h:33,
-                 from /usr/include/c++/14/bits/allocator.h:46,
-                 from /usr/include/c++/14/vector:63:
-In member function '_Tp* std::__new_allocator<_Tp>::allocate(size_type, const void*) [with _Tp = int]',
-    inlined from 'static _Tp* std::allocator_traits<std::allocator<_Tp1> >::allocate(allocator_type&, size_type) [with _Tp = int]' at /usr/include/c++/14/bits/alloc_traits.h:515:28,
-    inlined from 'std::_Vector_base<_Tp, _Alloc>::pointer std::_Vector_base<_Tp, _Alloc>::_M_allocate(std::size_t) [with _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:380:33,
-    inlined from 'void std::vector<_Tp, _Alloc>::_M_range_insert(iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/vector.tcc:1013:40,
-    inlined from 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::insert(const_iterator, _InputIterator, _InputIterator) [with _InputIterator = __gnu_cxx::__normal_iterator<int*, std::vector<int> >; <template-parameter-2-2> = void; _Tp = int; _Alloc = std::allocator<int>]' at /usr/include/c++/14/bits/stl_vector.h:1488:19,
-    inlined from 'void RDKit::MolDraw2D_detail::DrawMolMCHLasso::extractAtomColourLists(std::vector<RDKit::DrawColour>&, std::vector<std::vector<int> >&, std::vector<std::vector<int> >&) const' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawMolMCHLasso.cpp:115:32:
-/usr/include/c++/14/bits/new_allocator.h:151:55: note: at offset [-9223372036854775808, -1] into destination object of size [4, 9223372036854775804] allocated by 'operator new'
-  151 |         return static_cast<_Tp*>(_GLIBCXX_OPERATOR_NEW(__n * sizeof(_Tp)));
-      |                                                       ^
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testO3AAlign.dir/link.d CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign  ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 78%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/build
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
-[ 85%] Built target testO3AAlign
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/build
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/build
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molValidateTest.dir/testValidate.cpp.o -MF CMakeFiles/molValidateTest.dir/testValidate.cpp.o.d -o CMakeFiles/molValidateTest.dir/testValidate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testValidate.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 85%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -MF CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o.d -o CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testNormalize.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -MF CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o.d -o CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testTautomer.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeTest.dir/test1.cpp.o -MF CMakeFiles/molStandardizeTest.dir/test1.cpp.o.d -o CMakeFiles/molStandardizeTest.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test1.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o
+[ 78%] Linking CXX executable testMORSE
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMORSE.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molChargeTest.dir/testCharge.cpp.o -MF CMakeFiles/molChargeTest.dir/testCharge.cpp.o.d -o CMakeFiles/molChargeTest.dir/testCharge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testCharge.cpp
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -MF CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o.d -o CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/test2.cpp
-[ 85%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextNotFT.cpp
-[ 86%] Linking CXX executable molValidateTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 78%] Linking CXX executable FMCStest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCStest.dir/link.txt --verbose=1
+[ 78%] Linking CXX executable testBCUT
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testBCUT.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/FMCStest.dir/link.d CMakeFiles/FMCStest.dir/testFMCS.cpp.o -o FMCStest  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 86%] Built target molValidateTest
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextSVG.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DJS.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
-[ 87%] Linking CXX executable molStandardizeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMORSE.dir/link.d CMakeFiles/testMORSE.dir/testMORSE.cpp.o -o testMORSE  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Built target molStandardizeTest
+[ 78%] Built target FMCStest
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testFragment.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextJS.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/MolDraw2DCairo.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
-[ 87%] Linking CXX executable molChargeTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Built target molChargeTest
+[ 78%] Built target testMORSE
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/catch_tests.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
-[ 87%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextCairo.cpp
-[ 87%] Linking CXX executable testReaction
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReaction.dir/link.d CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -MF CMakeFiles/molFragmentTest.dir/testFragment.cpp.o.d -o CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testFragment.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testBCUT.dir/link.d CMakeFiles/testBCUT.dir/testBCUT.cpp.o -o testBCUT  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Built target testReaction
+[ 78%] Built target testBCUT
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build.make Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 87%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o
+[ 78%] Building CXX object Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolStandardize/CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -MF CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o.d -o CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/testPipeline.cpp
-[ 87%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
-[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Conformer.cpp
-[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
-[ 88%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFT.cpp
-[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o  ../../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 78%] Linking CXX executable testRDF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDF.dir/link.txt --verbose=1
+[ 79%] Linking CXX executable testEEM
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testEEM.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDF.dir/link.d CMakeFiles/testRDF.dir/testRDF.cpp.o -o testRDF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 88%] Built target rdMolAlign
+[ 79%] Built target testRDF
 make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build.make Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/rdMolStandardize.cpp
-[ 88%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testEEM.dir/link.d CMakeFiles/testEEM.dir/testEEM.cpp.o -o testEEM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 88%] Built target rdMolDescriptors
-[ 88%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
+[ 79%] Built target testEEM
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Validate.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Validate.cpp
-[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTSVG.cpp
-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTJS.cpp
-[ 89%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DMolDraw2D_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_MOLDRAW2D_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -MF CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o.d -o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/DrawTextFTCairo.cpp
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
-[ 89%] Linking CXX executable molStandardizeSmallTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 79%] Linking CXX executable testGETAWAY
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGETAWAY.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGETAWAY.dir/link.d CMakeFiles/testGETAWAY.dir/testGETAWAY.cpp.o -o testGETAWAY  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 89%] Built target molStandardizeSmallTest
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
-[ 89%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
+[ 79%] Built target testGETAWAY
+[ 79%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Charge.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Charge.cpp
-[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/EditableMol.cpp
+[ 79%] Linking CXX executable testPBF
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testPBF.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testPBF.dir/link.d CMakeFiles/testPBF.dir/testPBF.cpp.o -o testPBF  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 79%] Linking CXX executable testAUTOCORR2D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR2D.dir/link.txt --verbose=1
+[ 79%] Built target testPBF
 make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 89%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
+[ 79%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SCAFFOLDNETWORK_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -MF CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o.d -o CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/ScaffoldNetwork.cpp
-[ 90%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
+[ 79%] Linking CXX executable testRDFcustom
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRDFcustom.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR2D.dir/link.d CMakeFiles/testAUTOCORR2D.dir/testAUTOCORR2D.cpp.o -o testAUTOCORR2D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 79%] Built target testAUTOCORR2D
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Fragment.cpp
-[ 90%] Linking CXX executable testCIPLabeler
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
-[ 90%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
+[ 80%] Linking CXX executable testCoulombMat
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCoulombMat.dir/link.txt --verbose=1
+[ 80%] Linking CXX executable testWHIM
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testWHIM.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRDFcustom.dir/link.d CMakeFiles/testRDFcustom.dir/testRDFcustom.cpp.o -o testRDFcustom  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target testRDFcustom
+[ 80%] Linking CXX executable testAUTOCORR3D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testAUTOCORR3D.dir/link.txt --verbose=1
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Normalize.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCoulombMat.dir/link.d CMakeFiles/testCoulombMat.dir/testCoulombMat.cpp.o -o testCoulombMat  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 90%] Built target testCIPLabeler
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/depend
+[ 80%] Built target testCoulombMat
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testAUTOCORR3D.dir/link.d CMakeFiles/testAUTOCORR3D.dir/testAUTOCORR3D.cpp.o -o testAUTOCORR3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testWHIM.dir/link.d CMakeFiles/testWHIM.dir/testWHIM.cpp.o -o testWHIM  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target testAUTOCORR3D
+[ 80%] Built target testWHIM
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
+[ 80%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
+[ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdMolProcessing.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolProcessing.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolProcessing.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolProcessing.so CMakeFiles/rdMolProcessing.dir/rdMolProcessing.cpp.o  ../../../../lib/libRDKitMolProcessing.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitRDStreams.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target rdMolProcessing
+[ 80%] Linking CXX shared module ../../../../rdkit/Chem/rdSynthonSpaceSearch.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSynthonSpaceSearch.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSynthonSpaceSearch.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSynthonSpaceSearch.so CMakeFiles/rdSynthonSpaceSearch.dir/rdSynthonSpaceSearch.cpp.o  ../../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 80%] Built target rdSynthonSpaceSearch
+[ 81%] Linking CXX shared module ../../../../rdkit/Chem/rdMolEnumerator.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolEnumerator.dir/link.txt --verbose=1
+[ 81%] Linking CXX executable test3D
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/test3D.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolEnumerator.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolEnumerator.so CMakeFiles/rdMolEnumerator.dir/rdMolEnumerator.cpp.o  ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 81%] Built target rdMolEnumerator
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/test3D.dir/link.d CMakeFiles/test3D.dir/test3D.cpp.o -o test3D  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 81%] Linking CXX executable testRascalCluster
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalCluster.dir/link.txt --verbose=1
+[ 81%] Built target test3D
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalCluster.dir/link.d CMakeFiles/testRascalCluster.dir/mces_cluster_catch.cpp.o -o testRascalCluster  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 81%] Built target testRascalCluster
+[ 81%] Linking CXX executable moldraw2DRxnTest1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 81%] Built target moldraw2DRxnTest1
+[ 81%] Linking CXX executable descriptorsTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/descriptorsTestCatch.dir/link.txt --verbose=1
+[ 81%] Linking CXX executable molStandardizeSmallTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeSmallTest.dir/link.txt --verbose=1
+[ 81%] Linking CXX executable graphmolMolOpsTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/descriptorsTestCatch.dir/link.d CMakeFiles/descriptorsTestCatch.dir/catch_tests.cpp.o -o descriptorsTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 81%] Built target descriptorsTestCatch
+[ 82%] Linking CXX shared module ../../../../rdkit/Chem/rdFMCS.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdFMCS.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeSmallTest.dir/link.d CMakeFiles/molStandardizeSmallTest.dir/test2.cpp.o -o molStandardizeSmallTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 82%] Built target molStandardizeSmallTest
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/graphmolMolOpsTest.dir/link.d CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest  ../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../lib/libRDKitAlignment.so.1.2024.09.6 ../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 82%] Built target graphmolMolOpsTest
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdFMCS.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdFMCS.so CMakeFiles/rdFMCS.dir/rdFMCS.cpp.o  ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 82%] Built target rdFMCS
+[ 82%] Linking CXX shared library ../../../lib/libRDKitMarvinParser.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/MarvinParser.dir/link.txt --verbose=1
+[ 82%] Linking CXX executable molNormalizeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molNormalizeTest.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MarvinParser.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMarvinParser.so.1 -o ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 CMakeFiles/MarvinParser.dir/MarvinParser.cpp.o CMakeFiles/MarvinParser.dir/MarvinWriter.cpp.o CMakeFiles/MarvinParser.dir/MarvinDefs.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitMarvinParser.so.1 ../../../lib/libRDKitMarvinParser.so
+[ 83%] Linking CXX shared library ../../../lib/libRDKitO3AAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/O3AAlign.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 83%] Built target MarvinParser
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/depend
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/depend
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/DependInfo.cmake "--color="
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/build
+make  -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_TAUTOMERQUERY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -MF CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o.d -o CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/TautomerQuery.cpp
-[ 91%] Linking CXX executable molFragmentTest
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build.make Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build.make Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build.make Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -MF CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o.d -o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/rdChemReactions.cpp
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 83%] Building CXX object Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o
+[ 84%] Building CXX object Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdChemReactions_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -MF CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o.d -o CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MarvinParse/CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -MF CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o.d -o CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse/testMrvToMol.cpp
+[ 84%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -MF CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/catch_tests.cpp
+[ 85%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SmilesParse/CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -MF CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o.d -o CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse/cxsmiles_test.cpp
+[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Mancude.cpp
+[ 85%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o
+[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPMol.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -MF CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/CIPLabeler.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o
+[ 86%] Building CXX object Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o -MF CMakeFiles/rdchem.dir/rdchem.cpp.o.d -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdchem.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GenericGroups/CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -MF CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o.d -o CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups/generic_tests.cpp
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -MF CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o.d -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rdmolfiles.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molNormalizeTest.dir/link.d CMakeFiles/molNormalizeTest.dir/testNormalize.cpp.o -o molNormalizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 86%] Built target molNormalizeTest
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o -MF CMakeFiles/rdchem.dir/Table.cpp.o.d -o CMakeFiles/rdchem.dir/Table.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Table.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/O3AAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitO3AAlign.so.1 -o ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 CMakeFiles/O3AAlign.dir/O3AAlignMolecules.cpp.o  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitO3AAlign.so.1 ../../../lib/libRDKitO3AAlign.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 86%] Built target O3AAlign
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o -MF CMakeFiles/rdchem.dir/Atom.cpp.o.d -o CMakeFiles/rdchem.dir/Atom.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Atom.cpp
+[ 86%] Linking CXX shared module ../../../../rdkit/Chem/rdRascalMCES.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRascalMCES.dir/link.txt --verbose=1
+[ 86%] Linking CXX executable molFragmentTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molFragmentTest.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRascalMCES.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRascalMCES.so CMakeFiles/rdRascalMCES.dir/rdRascalMCES.cpp.o  ../../../../lib/libRDKitRascalMCES.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 86%] Built target rdRascalMCES
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Bond.cpp.o -MF CMakeFiles/rdchem.dir/Bond.cpp.o.d -o CMakeFiles/rdchem.dir/Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Bond.cpp
+[ 86%] Linking CXX executable molChargeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molChargeTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molFragmentTest.dir/link.d CMakeFiles/molFragmentTest.dir/testFragment.cpp.o -o molFragmentTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 91%] Built target molFragmentTest
-[ 91%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Metal.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Metal.cpp
-[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
-[ 92%] Linking CXX shared library ../../../lib/libRDKitMolDraw2D.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/MolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitMolDraw2D.so.1 -o ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DUtils.cpp.o CMakeFiles/MolDraw2D.dir/AtomSymbol.cpp.o CMakeFiles/MolDraw2D.dir/DrawAnnotation.cpp.o CMakeFiles/MolDraw2D.dir/DrawMol.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCH.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHCircleAndLine.cpp.o CMakeFiles/MolDraw2D.dir/DrawMolMCHLasso.cpp.o CMakeFiles/MolDraw2D.dir/DrawShape.cpp.o CMakeFiles/MolDraw2D.dir/DrawText.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextNotFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextJS.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextCairo.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFT.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTSVG.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTJS.cpp.o CMakeFiles/MolDraw2D.dir/DrawTextFTCairo.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1 ../../../lib/libRDKitMolDraw2D.so
+[ 86%] Built target molFragmentTest
+[ 86%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o -MF CMakeFiles/rdchem.dir/Mol.cpp.o.d -o CMakeFiles/rdchem.dir/Mol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Mol.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molChargeTest.dir/link.d CMakeFiles/molChargeTest.dir/testCharge.cpp.o -o molChargeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Built target MolDraw2D
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend
+[ 86%] Built target molChargeTest
+[ 86%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Digraph.cpp
+[ 87%] Linking CXX executable molValidateTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molValidateTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molValidateTest.dir/link.d CMakeFiles/molValidateTest.dir/testValidate.cpp.o -o molValidateTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 87%] Built target molValidateTest
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Conformer.cpp.o -MF CMakeFiles/rdchem.dir/Conformer.cpp.o.d -o CMakeFiles/rdchem.dir/Conformer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Conformer.cpp
+[ 88%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 88%] Built target TautomerQuery
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp
+make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build
+make  -f Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -MF CMakeFiles/moldraw2DTest1.dir/test1.cpp.o.d -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/test1.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDMolSupplier.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MonomerInfo.cpp
-[ 92%] Linking CXX executable molTautomerTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 88%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolAlign/CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -MF CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o.d -o CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/testO3AAlign.cpp
+[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Node.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Node.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Node.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Node.cpp
+[ 88%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Edge.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Edge.cpp
+[ 88%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitScaffoldNetwork.so.1 -o ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Built target molTautomerTest
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/depend
+[ 88%] Built target ScaffoldNetwork
+[ 88%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/RingInfo.cpp.o -MF CMakeFiles/rdchem.dir/RingInfo.cpp.o.d -o CMakeFiles/rdchem.dir/RingInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/RingInfo.cpp
+[ 89%] Linking CXX executable testMolEnumerator
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolEnumerator.dir/link.txt --verbose=1
+[ 89%] Linking CXX executable testFMCS
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFMCS.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testFMCS.dir/link.d CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -o testFMCS  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 89%] Built target testFMCS
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMolEnumerator.dir/link.d CMakeFiles/testMolEnumerator.dir/enumerator_catch.cpp.o -o testMolEnumerator  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/EditableMol.cpp.o -MF CMakeFiles/rdchem.dir/EditableMol.cpp.o.d -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/EditableMol.cpp
+[ 89%] Built target testMolEnumerator
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -MF CMakeFiles/rdchem.dir/MonomerInfo.cpp.o.d -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MonomerInfo.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -MF CMakeFiles/testCIPLabeler.dir/Sort.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Sort.cpp
+make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/build
+make  -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/catch_tests.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o
+[ 89%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolAlign_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -MF CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o.d -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp
+[ 89%] Linking CXX executable molStandardizeTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeTest.dir/link.txt --verbose=1
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -MF CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o.d -o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/ResonanceMolSupplier.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Tautomer.cpp
-[ 92%] Building CXX object Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolStandardize_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolStandardize/Wrap/CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -MF CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o.d -o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/Pipeline.cpp
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeTest.dir/link.d CMakeFiles/molStandardizeTest.dir/test1.cpp.o -o molStandardizeTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -MF CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o.d -o CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/rxn_test1.cpp
-make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
+[ 89%] Built target molStandardizeTest
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdMolDraw2D_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/usr/include/freetype2 -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -MF CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o.d -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+[ 89%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeMolSupplier.cpp
+[ 89%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
+[ 89%] Linking CXX executable testRascalMCES
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRascalMCES.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRascalMCES.dir/link.d CMakeFiles/testRascalMCES.dir/mces_catch.cpp.o -o testRascalMCES  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRascalMCES.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Configuration.cpp
+[ 89%] Built target testRascalMCES
+[ 89%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Sp2Bond.cpp
+[ 89%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/Tetrahedral.cpp
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MaeWriter.cpp
+[ 90%] Linking CXX executable testDescriptors
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MolBundle.cpp.o -MF CMakeFiles/rdchem.dir/MolBundle.cpp.o.d -o CMakeFiles/rdchem.dir/MolBundle.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MolBundle.cpp
-[ 92%] Linking CXX shared library ../../../lib/libRDKitScaffoldNetwork.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/ScaffoldNetwork.dir/link.txt --verbose=1
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testDescriptors.dir/link.d CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors  ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 90%] Built target testDescriptors
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDMolSupplier.cpp
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/StereoGroup.cpp.o -MF CMakeFiles/rdchem.dir/StereoGroup.cpp.o.d -o CMakeFiles/rdchem.dir/StereoGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/StereoGroup.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/ScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitScaffoldNetwork.so.1 -o ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 CMakeFiles/ScaffoldNetwork.dir/ScaffoldNetwork.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../lib/libRDKitScaffoldNetwork.so.1 ../../../lib/libRDKitScaffoldNetwork.so
+[ 90%] Linking CXX shared module ../../../rdkit/Chem/rdmolops.so
+[ 90%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -MF CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs/AtropisomerBond.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolops.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o CMakeFiles/rdmolops.dir/ChiralityOps.cpp.o  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 90%] Built target rdmolops
+[ 90%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
+[ 91%] Linking CXX executable molStandardizePipelineTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Built target ScaffoldNetwork
+[ 91%] Built target molStandardizePipelineTest
+[ 91%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 91%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
 make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/DependInfo.cmake "--color="
-[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -MF CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o.d -o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SubstanceGroup.cpp
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 92%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
+[ 91%] Building CXX object Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/ScaffoldNetwork/CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -MF CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o.d -o CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/catch_tests.cpp
-[ 93%] Linking CXX executable molStandardizePipelineTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizePipelineTest.dir/link.txt --verbose=1
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTMolSupplier.cpp
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizePipelineTest.dir/link.d CMakeFiles/molStandardizePipelineTest.dir/testPipeline.cpp.o -o molStandardizePipelineTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1a.cpp
+[ 92%] Linking CXX executable molTautomerTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molTautomerTest.dir/link.txt --verbose=1
+[ 92%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule1b.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molTautomerTest.dir/link.d CMakeFiles/molTautomerTest.dir/testTautomer.cpp.o -o molTautomerTest  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Built target molStandardizePipelineTest
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
+[ 92%] Built target molTautomerTest
+[ 92%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdchem_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Chirality.cpp.o -MF CMakeFiles/rdchem.dir/Chirality.cpp.o.d -o CMakeFiles/rdchem.dir/Chirality.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/Chirality.cpp
-[ 93%] Linking CXX shared library ../../../lib/libRDKitTautomerQuery.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/TautomerQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/TautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitTautomerQuery.so.1 -o ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 CMakeFiles/TautomerQuery.dir/TautomerQuery.cpp.o  ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1 ../../../lib/libRDKitTautomerQuery.so
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Built target TautomerQuery
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesMolSupplier.cpp
-[ 93%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Built target rdChemReactions
+[ 92%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp
 make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build.make Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
+[ 92%] Building CXX object Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdScaffoldNetwork_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/ScaffoldNetwork/Wrap/CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -MF CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o.d -o CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/rdScaffoldNetwork.cpp
-[ 93%] Linking CXX executable molStandardizeCatchTest
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Built target molStandardizeCatchTest
 make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build.make Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
+[ 92%] Building CXX object Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/TautomerQuery/CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -MF CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/catch_tests.cpp
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
-[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
-[ 93%] Linking CXX executable moldraw2DRxnTest1
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DRxnTest1.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DRxnTest1.dir/link.d CMakeFiles/moldraw2DRxnTest1.dir/rxn_test1.cpp.o -o moldraw2DRxnTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
+[ 93%] Linking CXX executable testGenericGroups
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups && /usr/bin/cmake -E cmake_link_script CMakeFiles/testGenericGroups.dir/link.txt --verbose=1
+[ 93%] Linking CXX executable testMrvToMol
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMrvToMol.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testMrvToMol.dir/link.d CMakeFiles/testMrvToMol.dir/testMrvToMol.cpp.o -o testMrvToMol  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Built target moldraw2DRxnTest1
+[ 93%] Built target testMrvToMol
 make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build.make Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testGenericGroups.dir/link.d CMakeFiles/testGenericGroups.dir/generic_tests.cpp.o -o testGenericGroups  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 93%] Building CXX object Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdTautomerQuery_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/TautomerQuery/Wrap/CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -MF CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o.d -o CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rdTautomerQuery.cpp
+[ 93%] Built target testGenericGroups
+[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SmilesWriter.cpp
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule2.cpp
+[ 93%] Linking CXX executable rxnTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnTestCatch.dir/link.txt --verbose=1
+[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/SDWriter.cpp
+[ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/TDTWriter.cpp
+[ 93%] Linking CXX executable molStandardizeCatchTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize && /usr/bin/cmake -E cmake_link_script CMakeFiles/molStandardizeCatchTest.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rxnTestCatch.dir/link.d CMakeFiles/rxnTestCatch.dir/catch_tests.cpp.o -o rxnTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 93%] Built target rxnTestCatch
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule3.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/molStandardizeCatchTest.dir/link.d CMakeFiles/molStandardizeCatchTest.dir/catch_tests.cpp.o -o molStandardizeCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 93%] Built target molStandardizeCatchTest
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
+[ 93%] Linking CXX executable testO3AAlign
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testO3AAlign.dir/link.txt --verbose=1
 [ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -MF CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o.d -o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/PDBWriter.cpp
-make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/XQMol.cpp
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/DependInfo.cmake "--color="
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testO3AAlign.dir/link.d CMakeFiles/testO3AAlign.dir/testO3AAlign.cpp.o -o testO3AAlign  ../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitDistGeomHelpers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitDistGeometry.so.1.2024.09.6 ../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecomp.cpp
+[ 93%] Built target testO3AAlign
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
 [ 93%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSmilesMolSupplier.cpp
-[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompData.cpp
-[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupData.cpp
-[ 95%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
-[ 95%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGeneralizedSubstruct_EXPORTS -DRDKIT_DYN_LINK -DRDKIT_GENERALIZEDSUBSTRUCT_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -MF CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o.d -o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/TextIO.cpp
-[ 95%] Linking CXX executable tautomerQueryTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 95%] Built target tautomerQueryTestCatch
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupUtils.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupCore.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupDecompParams.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
-[ 95%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o  ../../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdScaffoldNetwork
-[ 96%] Linking CXX executable testScaffoldNetwork
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target testScaffoldNetwork
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdTautomerQuery
-[ 96%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
-[ 96%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4a.cpp
+In file included from /usr/include/boost/shared_ptr.hpp:17,
+                 from /usr/include/boost/python/converter/shared_ptr_to_python.hpp:12,
+                 from /usr/include/boost/python/converter/arg_to_python.hpp:15,
+                 from /usr/include/boost/python/call.hpp:15,
+                 from /usr/include/boost/python/object_core.hpp:14,
+                 from /usr/include/boost/python/args.hpp:22,
+                 from /usr/include/boost/python.hpp:11,
+                 from /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:32:
+In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
+    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
+/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::px' may be used uninitialized [-Wmaybe-uninitialized]
+  459 |     shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn )
+      |                                                                ~~^~
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
+   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
+      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In file included from /usr/include/boost/smart_ptr/shared_ptr.hpp:18:
+In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)',
+    inlined from 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
+    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
+/usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized]
+  438 |     shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_)
+      |                                                                 ~~^~~
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::tuple]':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
+   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
+      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In copy constructor 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]',
+    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
+/usr/include/boost/smart_ptr/shared_ptr.hpp:459:66: warning: '*(const boost::shared_ptr<RDKit::ROMol>*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)).boost::shared_ptr<RDKit::ROMol>::px' may be used uninitialized [-Wmaybe-uninitialized]
+  459 |     shared_ptr( shared_ptr const & r ) BOOST_SP_NOEXCEPT : px( r.px ), pn( r.pn )
+      |                                                                ~~^~
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
+   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
+      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+In copy constructor 'boost::detail::shared_count::shared_count(const boost::detail::shared_count&)',
+    inlined from 'boost::shared_ptr<T>::shared_ptr(const boost::shared_ptr<T>&) [with T = RDKit::ROMol]' at /usr/include/boost/smart_ptr/shared_ptr.hpp:459:72,
+    inlined from 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]' at /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:25:
+/usr/include/boost/smart_ptr/detail/shared_count.hpp:438:67: warning: '((const boost::detail::shared_count*)((char*)&<unnamed> + offsetof(boost::python::extract<boost::shared_ptr<RDKit::ROMol> >,boost::python::extract<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::extract_rvalue<boost::shared_ptr<RDKit::ROMol> >::m_data.boost::python::converter::rvalue_from_python_data<boost::shared_ptr<RDKit::ROMol> >::<unnamed>.boost::python::converter::rvalue_from_python_storage<boost::shared_ptr<RDKit::ROMol> >::storage)))[1].boost::detail::shared_count::pi_' may be used uninitialized [-Wmaybe-uninitialized]
+  438 |     shared_count(shared_count const & r) BOOST_SP_NOEXCEPT: pi_(r.pi_)
+      |                                                                 ~~^~~
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp: In function 'std::vector<std::vector<boost::shared_ptr<RDKit::ROMol> > > RDKit::ConvertToVect(T) [with T = boost::python::list]':
+/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/Enumerate.cpp:55:39: note: '<anonymous>' declared here
+   55 |       RDKit::ROMOL_SPTR mol = python::extract<RDKit::ROMOL_SPTR>(bbs[i][j]);
+      |                                       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+[ 93%] Linking CXX shared module ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolStandardize.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolfiles.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdmolfiles
+[ 93%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4b.cpp
+[ 93%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupScore.cpp
+[ 94%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdmolfiles_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -MF CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o.d -o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/MultithreadedSDMolSupplier.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolStandardize.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/MolStandardize/rdMolStandardize.so CMakeFiles/rdMolStandardize.dir/rdMolStandardize.cpp.o CMakeFiles/rdMolStandardize.dir/Validate.cpp.o CMakeFiles/rdMolStandardize.dir/Charge.cpp.o CMakeFiles/rdMolStandardize.dir/Fragment.cpp.o CMakeFiles/rdMolStandardize.dir/Normalize.cpp.o CMakeFiles/rdMolStandardize.dir/Metal.cpp.o CMakeFiles/rdMolStandardize.dir/Tautomer.cpp.o CMakeFiles/rdMolStandardize.dir/Pipeline.cpp.o  ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdMolStandardize
-[ 96%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdchem.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target rdchem
-[ 96%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
+[ 94%] Built target rdMolStandardize
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupFingerprintScore.cpp
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule4c.cpp
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5.cpp
+[ 94%] Linking CXX shared library ../../../lib/libRDKitGeneralizedSubstruct.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/GeneralizedSubstruct.dir/link.txt --verbose=1
+[ 94%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_RGROUPDECOMPOSITION_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -MF CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o.d -o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/RGroupGa.cpp
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/GeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitGeneralizedSubstruct.so.1 -o ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 CMakeFiles/GeneralizedSubstruct.dir/XQMol.cpp.o CMakeFiles/GeneralizedSubstruct.dir/TextIO.cpp.o  ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1 ../../../lib/libRDKitGeneralizedSubstruct.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Built target GeneralizedSubstruct
+[ 94%] Built target GeneralizedSubstruct
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/depend
-make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/DependInfo.cmake "--color="
-make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color="
-make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/DependInfo.cmake "--color="
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 94%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
+make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build.make Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 94%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
+make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build
+make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 94%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
+make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/depend
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build.make Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/build
+make  -f Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build.make Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 96%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -MF CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/SubstructLibrary.cpp
-[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/GeneralizedSubstruct/CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -MF CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o.d -o CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/catch_tests.cpp
-[ 96%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
-[ 96%] Building CXX object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/cache.c
+[ 94%] Building CXX object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/adapter.cpp.o -MF CMakeFiles/rdkit.dir/adapter.cpp.o.d -o CMakeFiles/rdkit.dir/adapter.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o
+[ 94%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_op.c.o -MF CMakeFiles/rdkit.dir/bfp_op.c.o.d -o CMakeFiles/rdkit.dir/bfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_op.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o
+[ 94%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDKIT_SUBSTRUCTLIBRARY_BUILD -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -MF CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o.d -o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/PatternFactory.cpp
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule5New.cpp
+[ 94%] Linking CXX executable cxsmilesTest
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/cxsmilesTest.dir/link.txt --verbose=1
+[ 94%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/Rule6.cpp
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/cxsmilesTest.dir/link.d CMakeFiles/cxsmilesTest.dir/cxsmiles_test.cpp.o -o cxsmilesTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 94%] Built target cxsmilesTest
+[ 94%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/cache.c.o -MF CMakeFiles/rdkit.dir/cache.c.o.d -o CMakeFiles/rdkit.dir/cache.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/cache.c
+[ 95%] Building CXX object Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_CIPLABELER_BUILD -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/CIPLabeler/CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -MF CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o.d -o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules/SequenceRule.cpp
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/guc.c.o -MF CMakeFiles/rdkit.dir/guc.c.o.d -o CMakeFiles/rdkit.dir/guc.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/guc.c
-[ 96%] Building CXX object Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/low_gist.c.o -MF CMakeFiles/rdkit.dir/low_gist.c.o.d -o CMakeFiles/rdkit.dir/low_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/low_gist.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdGeneralizedSubstruct_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/GeneralizedSubstruct/Wrap/CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -MF CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o.d -o CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/rdGeneralizedSubstruct.cpp
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/mol_op.c.o -MF CMakeFiles/rdkit.dir/mol_op.c.o.d -o CMakeFiles/rdkit.dir/mol_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/mol_op.c
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_gist.c.o -MF CMakeFiles/rdkit.dir/rdkit_gist.c.o.d -o CMakeFiles/rdkit.dir/rdkit_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_gist.c
-[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gist.c.o -MF CMakeFiles/rdkit.dir/bfp_gist.c.o.d -o CMakeFiles/rdkit.dir/bfp_gist.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_gist.c
+[ 95%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bfp_gin.c.o -MF CMakeFiles/rdkit.dir/bfp_gin.c.o.d -o CMakeFiles/rdkit.dir/bfp_gin.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bfp_gin.c
-[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/bitstring.c.o -MF CMakeFiles/rdkit.dir/bitstring.c.o.d -o CMakeFiles/rdkit.dir/bitstring.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/bitstring.c
-[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rdkit_io.c.o -MF CMakeFiles/rdkit.dir/rdkit_io.c.o.d -o CMakeFiles/rdkit.dir/rdkit_io.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rdkit_io.c
-[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rxn_op.c
-[ 97%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/sfp_op.c.o -MF CMakeFiles/rdkit.dir/sfp_op.c.o.d -o CMakeFiles/rdkit.dir/sfp_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sfp_op.c
-[ 97%] Linking CXX executable moldraw2DTest1
+[ 96%] Building C object Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cc -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKITVER=\"007600\" -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_CAIRO_SUPPORT -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_FREETYPE_SUPPORT -DRDK_BUILD_INCHI_SUPPORT -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_MOLINTERCHANGE_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_TOOLKIT_VERSION=\"2024.09.6\" -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -Drdkit_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/usr/include/postgresql -I/usr/include/postgresql/17/server -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/include/freetype2 -isystem /usr/include/eigen3 -isystem /usr/include/cairo -g -O2 -Werror=implicit-function-declaration -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -fPIC -MD -MT Code/PgSQL/rdkit/CMakeFiles/rdkit.dir/rxn_op.c.o -MF CMakeFiles/rdkit.dir/rxn_op.c.o.d -o CMakeFiles/rdkit.dir/rxn_op.c.o -c /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/rxn_op.c
+[ 96%] Linking CXX executable moldraw2DTest1
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTest1.dir/link.d CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1  ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target moldraw2DTest1
+[ 96%] Built target moldraw2DTest1
+[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolAlign.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o  ../../../../lib/libRDKitO3AAlign.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitForceFieldHelpers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitForceField.so.1.2024.09.6 ../../../../lib/libRDKitOptimizer.so.1.2024.09.6 ../../../../lib/libRDKitTrajectory.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target rdMolAlign
+[ 96%] Linking CXX executable tautomerQueryTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery && /usr/bin/cmake -E cmake_link_script CMakeFiles/tautomerQueryTestCatch.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/tautomerQueryTestCatch.dir/link.d CMakeFiles/tautomerQueryTestCatch.dir/catch_tests.cpp.o -o tautomerQueryTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target tautomerQueryTestCatch
+[ 96%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp: In function 'void* makeAvalonBFP(CROMol, bool, unsigned int)':
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1627:38: warning: unused parameter 'data' [-Wunused-parameter]
  1627 | extern "C" CBfp makeAvalonBFP(CROMol data, bool isQuery,
@@ -6970,20 +6963,56 @@
 /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/adapter.cpp:1628:44: warning: unused parameter 'bitFlags' [-Wunused-parameter]
  1628 |                               unsigned int bitFlags) {
       |                               ~~~~~~~~~~~~~^~~~~~~~
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target rdMolDraw2D
+[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDescriptors.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o  ../../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target rdMolDescriptors
+[ 96%] Linking CXX executable testCIPLabeler
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler && /usr/bin/cmake -E cmake_link_script CMakeFiles/testCIPLabeler.dir/link.txt --verbose=1
+[ 96%] Linking CXX shared module ../../../../rdkit/Chem/rdTautomerQuery.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdTautomerQuery.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testCIPLabeler.dir/link.d CMakeFiles/testCIPLabeler.dir/catch_tests.cpp.o CMakeFiles/testCIPLabeler.dir/CIPMol.cpp.o CMakeFiles/testCIPLabeler.dir/CIPLabeler.cpp.o CMakeFiles/testCIPLabeler.dir/Mancude.cpp.o CMakeFiles/testCIPLabeler.dir/Digraph.cpp.o CMakeFiles/testCIPLabeler.dir/Node.cpp.o CMakeFiles/testCIPLabeler.dir/Edge.cpp.o CMakeFiles/testCIPLabeler.dir/Sort.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Configuration.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Sp2Bond.cpp.o CMakeFiles/testCIPLabeler.dir/configs/Tetrahedral.cpp.o CMakeFiles/testCIPLabeler.dir/configs/AtropisomerBond.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule1b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule2.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule3.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4a.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4b.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule4c.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule5New.cpp.o CMakeFiles/testCIPLabeler.dir/rules/Rule6.cpp.o CMakeFiles/testCIPLabeler.dir/rules/SequenceRule.cpp.o -o testCIPLabeler  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target testCIPLabeler
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdTautomerQuery.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdTautomerQuery.so CMakeFiles/rdTautomerQuery.dir/rdTautomerQuery.cpp.o  ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target rdTautomerQuery
+[ 96%] Linking CXX executable testScaffoldNetwork
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork && /usr/bin/cmake -E cmake_link_script CMakeFiles/testScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testScaffoldNetwork.dir/link.d CMakeFiles/testScaffoldNetwork.dir/catch_tests.cpp.o -o testScaffoldNetwork  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 96%] Built target testScaffoldNetwork
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdScaffoldNetwork.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdScaffoldNetwork.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Scaffolds/rdScaffoldNetwork.so CMakeFiles/rdScaffoldNetwork.dir/rdScaffoldNetwork.cpp.o  ../../../../lib/libRDKitScaffoldNetwork.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdScaffoldNetwork
+[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o  ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 97%] Built target rdGeneralizedSubstruct
 [ 97%] Linking CXX shared library ../../../lib/libRDKitRGroupDecomposition.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/RGroupDecomposition.dir/link.txt --verbose=1
+[ 97%] Linking CXX shared library librdkit.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/RGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitRGroupDecomposition.so.1 -o ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 CMakeFiles/RGroupDecomposition.dir/RGroupDecomp.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupData.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupUtils.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupCore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupDecompParams.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupFingerprintScore.cpp.o CMakeFiles/RGroupDecomposition.dir/RGroupGa.cpp.o  ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitRGroupDecomposition.so.1 ../../../lib/libRDKitRGroupDecomposition.so
+[ 97%] Linking CXX executable generalizedSubstructCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o   -L/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/lib  /usr/lib/x86_64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/sql
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/data
 [ 97%] Built target RGroupDecomposition
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/depend
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/depend
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/DependInfo.cmake "--color="
@@ -6991,64 +7020,51 @@
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/DependInfo.cmake "--color="
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/expected
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/build
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make  -f Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build.make Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/build
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build.make Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/build
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp
 [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -MF CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o.d -o CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupDecomp.cpp
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -MF CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o.d -o CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp
+[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o
 [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o
 [ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/gaExample.dir/GaExample.cpp.o -MF CMakeFiles/gaExample.dir/GaExample.cpp.o.d -o CMakeFiles/gaExample.dir/GaExample.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/GaExample.cpp
-[ 97%] Building CXX object Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -MF CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o.d -o CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/testRGroupInternals.cpp
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdRGroupDecomposition_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/RGroupDecomposition/Wrap/CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -MF CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o.d -o CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/rdRGroupComposition.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/RGroupDecomposition/CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -MF CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o.d -o CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/catch_rgd.cpp
-[ 97%] Linking CXX shared module ../../../../rdkit/Chem/Draw/rdMolDraw2D.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDraw2D.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdMolDraw2D.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/Draw/rdMolDraw2D.so CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o  ../../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target rdMolDraw2D
-[ 97%] Linking CXX shared module ../../../../rdkit/Chem/rdGeneralizedSubstruct.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdGeneralizedSubstruct.dir/link.txt --verbose=1
-[ 97%] Linking CXX shared library librdkit.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdkit.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdGeneralizedSubstruct.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdGeneralizedSubstruct.so CMakeFiles/rdGeneralizedSubstruct.dir/rdGeneralizedSubstruct.cpp.o  ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target rdGeneralizedSubstruct
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/rdkit.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,librdkit.so -o librdkit.so CMakeFiles/rdkit.dir/adapter.cpp.o CMakeFiles/rdkit.dir/bfp_op.c.o CMakeFiles/rdkit.dir/cache.c.o CMakeFiles/rdkit.dir/guc.c.o CMakeFiles/rdkit.dir/low_gist.c.o CMakeFiles/rdkit.dir/mol_op.c.o CMakeFiles/rdkit.dir/rdkit_gist.c.o CMakeFiles/rdkit.dir/bfp_gist.c.o CMakeFiles/rdkit.dir/bfp_gin.c.o CMakeFiles/rdkit.dir/bitstring.c.o CMakeFiles/rdkit.dir/rdkit_io.c.o CMakeFiles/rdkit.dir/rxn_op.c.o CMakeFiles/rdkit.dir/sfp_op.c.o   -L/build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/lib  /usr/lib/x86_64-linux-gnu/libpq.so ../../../lib/libRDKitRDInchiLib.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libinchi.so ../../../lib/libRDKitMolInterchange.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitMolHash.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitDescriptors.so.1.2024.09.6 ../../../lib/libRDKitPartialCharges.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/sql /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/sql
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/data /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/data
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit && /usr/bin/cmake -E copy_directory /build/reproducible-path/rdkit-202409.6/Code/PgSQL/rdkit/expected /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/PgSQL/rdkit/expected
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 97%] Built target rdkit
-[ 97%] Linking CXX executable generalizedSubstructCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/generalizedSubstructCatch.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/generalizedSubstructCatch.dir/link.d CMakeFiles/generalizedSubstructCatch.dir/catch_tests.cpp.o -o generalizedSubstructCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 97%] Built target generalizedSubstructCatch
-[ 97%] Linking CXX executable testRGroupDecompInternals
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1
-[ 97%] Linking CXX executable gaExample
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 97%] Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1
+[ 97%] Linking CXX shared module ../../../rdkit/Chem/rdchem.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdchem.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdmolfiles.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MaeWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/MultithreadedSDMolSupplier.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 -ldl /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target testRGroupDecompInternals
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+[ 97%] Built target rdmolfiles
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdchem.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../rdkit/Chem/rdchem.so CMakeFiles/rdchem.dir/rdchem.cpp.o CMakeFiles/rdchem.dir/Table.cpp.o CMakeFiles/rdchem.dir/Atom.cpp.o CMakeFiles/rdchem.dir/Bond.cpp.o CMakeFiles/rdchem.dir/Mol.cpp.o CMakeFiles/rdchem.dir/Conformer.cpp.o CMakeFiles/rdchem.dir/RingInfo.cpp.o CMakeFiles/rdchem.dir/EditableMol.cpp.o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o CMakeFiles/rdchem.dir/ResonanceMolSupplier.cpp.o CMakeFiles/rdchem.dir/MolBundle.cpp.o CMakeFiles/rdchem.dir/StereoGroup.cpp.o CMakeFiles/rdchem.dir/SubstanceGroup.cpp.o CMakeFiles/rdchem.dir/Chirality.cpp.o  ../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 97%] Built target gaExample
+[ 97%] Built target rdchem
 [ 97%] Linking CXX shared library ../../../lib/libRDKitSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructLibrary.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,--dependency-file=CMakeFiles/SubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared -Wl,-soname,libRDKitSubstructLibrary.so.1 -o ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 CMakeFiles/SubstructLibrary.dir/SubstructLibrary.cpp.o CMakeFiles/SubstructLibrary.dir/PatternFactory.cpp.o  ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl /usr/lib/x86_64-linux-gnu/libmaeparser.so
@@ -7058,74 +7074,94 @@
 make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/depend
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/depend
 make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/depend
-make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color="
 make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/depend
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/DependInfo.cmake "--color="
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/DependInfo.cmake "--color="
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/rdkit-202409.6 /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/DependInfo.cmake "--color="
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build
+make  -f Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build.make Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/build
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/build
+make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-make  -f Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build.make Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/build
+make  -f Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build.make Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/build
 make[4]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 98%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o
+[ 97%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
+[ 98%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/catch_tests.cpp
+[ 99%] Building CXX object Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SynthonSpaceSearch/CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -MF CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o.d -o CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp
-[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o
+[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -MF CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o.d -o CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/substructLibraryTest.cpp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
 [ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rdSubstructLibrary.cpp
-[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o
-[ 99%] Building CXX object Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -MD -MT Code/GraphMol/SubstructLibrary/CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -MF CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o.d -o CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/catch_tests.cpp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/c++ -DBOOST_IOSTREAMS_DYN_LINK -DBOOST_IOSTREAMS_NO_LIB -DBOOST_NUMPY_DYN_LINK -DBOOST_NUMPY_NO_LIB -DBOOST_PYTHON_DYN_LINK -DBOOST_PYTHON_NO_LIB -DBOOST_SERIALIZATION_DYN_LINK -DBOOST_SERIALIZATION_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DRDKIT_DYN_LINK -DRDK_64BIT_BUILD -DRDK_BUILD_COORDGEN_SUPPORT -DRDK_BUILD_DESCRIPTORS3D -DRDK_BUILD_MAEPARSER_SUPPORT -DRDK_BUILD_THREADSAFE_SSS -DRDK_HAS_EIGEN3 -DRDK_TEST_MULTITHREADED -DRDK_USE_BOOST_IOSTREAMS -DRDK_USE_BOOST_SERIALIZATION -DRDK_USE_STRICT_ROTOR_DEFINITION -DrdSubstructLibrary_EXPORTS -I/build/reproducible-path/rdkit-202409.6/External -I/build/reproducible-path/rdkit-202409.6/Code -I/build/reproducible-path/rdkit-202409.6/External/boost-numeric-bindings -I/usr/lib/x86_64-linux-gnu/python3-numpy/numpy/_core/include -isystem /usr/include/python3.13 -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -std=gnu++17 -fPIC -MD -MT Code/GraphMol/SubstructLibrary/Wrap/CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -MF CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o.d -o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o -c /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/SubstructLibraryWrap.cpp
+[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdChemReactions.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemReactions.dir/link.txt --verbose=1
+[ 99%] Linking CXX executable testRGroupDecompInternals
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecompInternals.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecompInternals.dir/link.d CMakeFiles/testRGroupDecompInternals.dir/testRGroupInternals.cpp.o -o testRGroupDecompInternals  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdChemReactions.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdChemReactions.so CMakeFiles/rdChemReactions.dir/Enumerate.cpp.o CMakeFiles/rdChemReactions.dir/rdChemReactions.cpp.o  ../../../../lib/libRDKitMarvinParser.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target testRGroupDecompInternals
+[ 99%] Built target rdChemReactions
+[ 99%] Linking CXX executable gaExample
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaExample.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/gaExample.dir/link.d CMakeFiles/gaExample.dir/GaExample.cpp.o -o gaExample  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target gaExample
 [ 99%] Linking CXX executable rgroupCatchTests
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/rgroupCatchTests.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/rgroupCatchTests.dir/link.d CMakeFiles/rgroupCatchTests.dir/catch_rgd.cpp.o -o rgroupCatchTests  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 99%] Built target rgroupCatchTests
-[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target rdRGroupDecomposition
-[ 99%] Linking CXX executable moldraw2DTestCatch
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTestCatch.dir/link.d CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target moldraw2DTestCatch
 [ 99%] Linking CXX executable substructLibraryCatchTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryCatchTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryCatchTest.dir/link.d CMakeFiles/substructLibraryCatchTest.dir/catch_tests.cpp.o -o substructLibraryCatchTest  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 99%] Built target substructLibraryCatchTest
+[ 99%] Linking CXX shared module ../../../../rdkit/Chem/rdRGroupDecomposition.so
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdRGroupDecomposition.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdRGroupDecomposition.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdRGroupDecomposition.so CMakeFiles/rdRGroupDecomposition.dir/rdRGroupComposition.cpp.o  ../../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../../lib/libRDKitga.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target rdRGroupDecomposition
 [ 99%] Linking CXX executable substructLibraryTest
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary && /usr/bin/cmake -E cmake_link_script CMakeFiles/substructLibraryTest.dir/link.txt --verbose=1
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/substructLibraryTest.dir/link.d CMakeFiles/substructLibraryTest.dir/substructLibraryTest.cpp.o -o substructLibraryTest  ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 [ 99%] Built target substructLibraryTest
-[ 99%] Linking CXX executable testRGroupDecomp
-cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
-make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
-[ 99%] Built target testRGroupDecomp
 [ 99%] Linking CXX executable testSynthonSpaceSubstructureSearch
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.txt --verbose=1
+[ 99%] Linking CXX executable moldraw2DTestCatch
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTestCatch.dir/link.txt --verbose=1
 /usr/bin/ld: CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o: in function `CATCH2_INTERNAL_TEST_20()':
 ./obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/./Code/GraphMol/SynthonSpaceSearch/substructure_search_catch_tests.cpp:306:(.text+0x7b4f): warning: the use of `tmpnam' is dangerous, better use `mkstemp'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/moldraw2DTestCatch.dir/link.d CMakeFiles/moldraw2DTestCatch.dir/catch_tests.cpp.o -o moldraw2DTestCatch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitMolDraw2D.so.1.2024.09.6 ../../../lib/libRDKitCIPLabeler.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcairo.so /usr/lib/x86_64-linux-gnu/libfreetype.so ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testSynthonSpaceSubstructureSearch.dir/link.d CMakeFiles/testSynthonSpaceSubstructureSearch.dir/substructure_search_catch_tests.cpp.o -o testSynthonSpaceSubstructureSearch  ../../RDGeneral/librdkitCatch.a ../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../lib/libRDKitSynthonSpaceSearch.so.1.2024.09.6 /usr/lib/libCatch2.a ../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
 make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target moldraw2DTestCatch
 [ 99%] Built target testSynthonSpaceSubstructureSearch
+[ 99%] Linking CXX executable testReaction
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/testReaction.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testReaction.dir/link.d CMakeFiles/testReaction.dir/testReaction.cpp.o -o testReaction  ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target testReaction
+[ 99%] Linking CXX executable testRGroupDecomp
+cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition && /usr/bin/cmake -E cmake_link_script CMakeFiles/testRGroupDecomp.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file=CMakeFiles/testRGroupDecomp.dir/link.d CMakeFiles/testRGroupDecomp.dir/testRGroupDecomp.cpp.o -o testRGroupDecomp  ../../../lib/libRDKitRGroupDecomposition.so.1.2024.09.6 ../../../lib/libRDKitFMCS.so.1.2024.09.6 ../../../lib/libRDKitga.so.1.2024.09.6 ../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../lib/libRDKitFileParsers.so.1.2024.09.6 ../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../lib/libRDKitAlignment.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../lib/libRDKitDataStructs.so.1.2024.09.6 ../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
+make[4]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
+[ 99%] Built target testRGroupDecomp
 [100%] Linking CXX shared module ../../../../rdkit/Chem/rdSubstructLibrary.so
 cd /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSubstructLibrary.dir/link.txt --verbose=1
 /usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/reproducible-path/rdkit-202409.6=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -Wall -Wextra -fPIC -shared -Wl,-O1 -Wl,-Bsymbolic-functions  -Wl,-z,relro -g -fwrapv -O2 -Wl,--dependency-file=CMakeFiles/rdSubstructLibrary.dir/link.d -Wl,-z,relro -Wl,-z,now -shared  -o ../../../../rdkit/Chem/rdSubstructLibrary.so CMakeFiles/rdSubstructLibrary.dir/rdSubstructLibrary.cpp.o CMakeFiles/rdSubstructLibrary.dir/SubstructLibraryWrap.cpp.o  ../../../../lib/libRDKitSubstructLibrary.so.1.2024.09.6 ../../../../lib/libRDKitRDBoost.so.1.2024.09.6 ../../../../lib/libRDKitGeneralizedSubstruct.so.1.2024.09.6 ../../../../lib/libRDKitMolEnumerator.so.1.2024.09.6 ../../../../lib/libRDKitTautomerQuery.so.1.2024.09.6 ../../../../lib/libRDKitMolStandardize.so.1.2024.09.6 ../../../../lib/libRDKitChemReactions.so.1.2024.09.6 ../../../../lib/libRDKitFileParsers.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libmaeparser.so ../../../../lib/libRDKitFilterCatalog.so.1.2024.09.6 ../../../../lib/libRDKitChemTransforms.so.1.2024.09.6 ../../../../lib/libRDKitDepictor.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libcoordgen.so ../../../../lib/libRDKitMolAlign.so.1.2024.09.6 ../../../../lib/libRDKitMolTransforms.so.1.2024.09.6 ../../../../lib/libRDKitEigenSolvers.so.1.2024.09.6 ../../../../lib/libRDKitAlignment.so.1.2024.09.6 ../../../../lib/libRDKitFingerprints.so.1.2024.09.6 ../../../../lib/libRDKitSubgraphs.so.1.2024.09.6 ../../../../lib/libRDKitSubstructMatch.so.1.2024.09.6 ../../../../lib/libRDKitGenericGroups.so.1.2024.09.6 ../../../../lib/libRDKitSmilesParse.so.1.2024.09.6 ../../../../lib/libRDKitGraphMol.so.1.2024.09.6 ../../../../lib/libRDKitRDGeometryLib.so.1.2024.09.6 ../../../../lib/libRDKitCatalogs.so.1.2024.09.6 ../../../../lib/libRDKitDataStructs.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_numpy313.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_python313.so.1.83.0 ../../../../lib/libRDKitRDGeneral.so.1.2024.09.6 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_serialization.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_iostreams.so.1.83.0 -ldl
@@ -7257,69 +7293,69 @@
 Searching for files to exclude
 Searching INPUT for files to process...
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/Demo
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/tutorial
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MarvinParse
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DetermineBonds
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SmilesParse
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TautomerCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/FragmentCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/AcidBaseCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/TransformCatalog
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Fonts
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Qt/Demo
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/libs
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Subgraphs
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Substruct
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/configs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/rules
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/data
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/CrystalFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/UFF
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/MMFF
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Enumerate
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/tutorial
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GenericGroups
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/Trajectory
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FileParsers
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/libs
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SynthonSpaceSearch/data
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/DetermineBonds
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Test
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/StructChecker
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemTransforms
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Catalogs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/DataStructs
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Query
@@ -7337,12 +7373,12 @@
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/RDBoost
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/DistGeom
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ForceField/UFF
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers
-Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/Optimizer
+Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Numerics/EigenSolvers
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Geometry
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/Features
 Searching for files in directory /build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures
@@ -8358,14 +8394,6 @@
 Generating code for file Contrib.h...
 Generating code for file DistanceConstraints.h...
 Generating code for file ForceField.h...
-Generating code for file OopBend.h...
-Generating code for file StretchBend.h...
-Generating code for file PositionConstraint.h...
-Generating code for file PositionConstraint.h...
-Generating code for file PositionConstraint.h...
-Generating code for file TorsionConstraint.h...
-Generating code for file TorsionConstraint.h...
-Generating code for file TorsionConstraint.h...
 Generating code for file AngleBend.h...
 Generating code for file AngleBend.h...
 Generating code for file AngleConstraint.h...
@@ -8378,14 +8406,22 @@
 Generating code for file DistanceConstraint.h...
 Generating code for file DistanceConstraint.h...
 Generating code for file DistanceConstraint.h...
-Generating code for file Inversion.h...
-Generating code for file Inversions.h...
 Generating code for file Nonbonded.h...
 Generating code for file Nonbonded.h...
+Generating code for file OopBend.h...
 Generating code for file Params.h...
 Generating code for file Params.h...
+Generating code for file PositionConstraint.h...
+Generating code for file PositionConstraint.h...
+Generating code for file PositionConstraint.h...
+Generating code for file StretchBend.h...
 Generating code for file TorsionAngle.h...
 Generating code for file TorsionAngle.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file TorsionConstraint.h...
+Generating code for file Inversion.h...
+Generating code for file Inversions.h...
 Generating code for file Utils.h...
 Generating code for file Utils.h...
 Generating code for file Grid3D.h...
@@ -8484,6 +8520,8 @@
 Generating code for file RegisterDescriptor.h...
 Generating code for file USRDescriptor.h...
 Generating code for file WHIM.h...
+Generating code for file details.h...
+Generating code for file details.h...
 Generating code for file DetermineBonds.h...
 Generating code for file BoundsMatrixBuilder.h...
 Generating code for file Embedder.h...
@@ -8540,11 +8578,11 @@
 Generating code for file TorsionAngleM6.h...
 Generating code for file TorsionPreferences.h...
 Generating code for file FFConvenience.h...
-Generating code for file MMFF.h...
 Generating code for file AtomTyper.h...
 Generating code for file AtomTyper.h...
 Generating code for file Builder.h...
 Generating code for file Builder.h...
+Generating code for file MMFF.h...
 Generating code for file UFF.h...
 Generating code for file FragCatalogEntry.h...
 Generating code for file FragCatalogUtils.h...
@@ -8603,8 +8641,6 @@
 Generating code for file MolHash.h...
 Generating code for file nmmolhash.h...
 Generating code for file MIFDescriptors.h...
-Generating code for file details.h...
-Generating code for file details.h...
 Generating code for file MolInterchange.h...
 Generating code for file MolOps.h...
 Generating code for file MolPickler.h...
@@ -8803,14 +8839,6 @@
 Generating docs for file Contrib.h...
 Generating docs for file DistanceConstraints.h...
 Generating docs for file ForceField.h...
-Generating docs for file OopBend.h...
-Generating docs for file StretchBend.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file PositionConstraint.h...
-Generating docs for file TorsionConstraint.h...
-Generating docs for file TorsionConstraint.h...
-Generating docs for file TorsionConstraint.h...
 Generating docs for file AngleBend.h...
 Generating docs for file AngleBend.h...
 Generating docs for file AngleConstraint.h...
@@ -8823,14 +8851,22 @@
 Generating docs for file DistanceConstraint.h...
 Generating docs for file DistanceConstraint.h...
 Generating docs for file DistanceConstraint.h...
-Generating docs for file Inversion.h...
-Generating docs for file Inversions.h...
 Generating docs for file Nonbonded.h...
 Generating docs for file Nonbonded.h...
+Generating docs for file OopBend.h...
 Generating docs for file Params.h...
 Generating docs for file Params.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file PositionConstraint.h...
+Generating docs for file StretchBend.h...
 Generating docs for file TorsionAngle.h...
 Generating docs for file TorsionAngle.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file TorsionConstraint.h...
+Generating docs for file Inversion.h...
+Generating docs for file Inversions.h...
 Generating docs for file Utils.h...
 Generating docs for file Utils.h...
 Generating docs for file Grid3D.h...
@@ -8929,6 +8965,8 @@
 Generating docs for file RegisterDescriptor.h...
 Generating docs for file USRDescriptor.h...
 Generating docs for file WHIM.h...
+Generating docs for file details.h...
+Generating docs for file details.h...
 Generating docs for file DetermineBonds.h...
 Generating docs for file BoundsMatrixBuilder.h...
 Generating docs for file Embedder.h...
@@ -8985,11 +9023,11 @@
 Generating docs for file TorsionAngleM6.h...
 Generating docs for file TorsionPreferences.h...
 Generating docs for file FFConvenience.h...
-Generating docs for file MMFF.h...
 Generating docs for file AtomTyper.h...
 Generating docs for file AtomTyper.h...
 Generating docs for file Builder.h...
 Generating docs for file Builder.h...
+Generating docs for file MMFF.h...
 Generating docs for file UFF.h...
 Generating docs for file FragCatalogEntry.h...
 Generating docs for file FragCatalogUtils.h...
@@ -9048,8 +9086,6 @@
 Generating docs for file MolHash.h...
 Generating docs for file nmmolhash.h...
 Generating docs for file MIFDescriptors.h...
-Generating docs for file details.h...
-Generating docs for file details.h...
 Generating docs for file MolInterchange.h...
 Generating docs for file MolOps.h...
 Generating docs for file MolPickler.h...
@@ -11201,9 +11237,9 @@
 copying downloadable files... [100%] C++Examples/example16.cpp
 
 copying static files... 
+Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/documentation_options.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/language_data.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/basic.css
-Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/documentation_options.js
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/html/_static/sphinxdoc.css
 copying static files: done
 copying extra files... 
@@ -12490,9 +12526,9 @@
 preparing documents... done
 copying assets... 
 copying TeX support files... Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/Makefile
-Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/make.bat
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkjarc
 Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/latexmkrc
+Writing evaluated template result to /build/reproducible-path/rdkit-202409.6/Docs/Book/_build/latex/make.bat
 done
 copying assets: done
 processing RDKit.tex... 
@@ -12760,7 +12796,7 @@
 
 resolving references...
 /build/reproducible-path/rdkit-202409.6/Docs/Book/GettingStartedWithContributing.md:273: WARNING: 'myst' cross-reference target not found: 'building-rdkit-for-development' [myst.xref_missing]
-WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7f96461f6510>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
+WARNING: Could not fetch remote image: https://img.shields.io/badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC [HTTPSConnectionPool(host='img.shields.io', port=443): Max retries exceeded with url: /badge/Powered%20by-RDKit-3838ff.svg?logo=data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAABAAAAAQBAMAAADt3eJSAAAABGdBTUEAALGPC/xhBQAAACBjSFJNAAB6JgAAgIQAAPoAAACA6AAAdTAAAOpgAAA6mAAAF3CculE8AAAAFVBMVEXc3NwUFP8UPP9kZP+MjP+0tP////9ZXZotAAAAAXRSTlMAQObYZgAAAAFiS0dEBmFmuH0AAAAHdElNRQfmAwsPGi+MyC9RAAAAQElEQVQI12NgQABGQUEBMENISUkRLKBsbGwEEhIyBgJFsICLC0iIUdnExcUZwnANQWfApKCK4doRBsKtQFgKAQC5Ww1JEHSEkAAAACV0RVh0ZGF0ZTpjcmVhdGUAMjAyMi0wMy0xMVQxNToyNjo0NyswMDowMDzr2J4AAAAldEVYdGRhdGU6bW9kaWZ5ADIwMjItMDMtMTFUMTU6MjY6NDcrMDA6MDBNtmAiAAAAAElFTkSuQmCC (Caused by NameResolutionError("<urllib3.connection.HTTPSConnection object at 0x7fd09c3f6510>: Failed to resolve 'img.shields.io' ([Errno -3] Temporary failure in name resolution)"))]
 processing RDKit.tex: done
 writing... done
 copying images... [  1%] images/Cc1ccccc1.png
@@ -14888,10 +14924,10 @@
 find /build/reproducible-path/rdkit-202409.6 -name rdchem.so
 /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 PYTHONPATH=/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/:/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//rdkit/Chem/ LD_LIBRARY_PATH="/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib:" dh_auto_test
-	cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20
+	cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 Running tests...
-/usr/bin/ctest --force-new-ctest-process --verbose -j20
+/usr/bin/ctest --force-new-ctest-process --verbose -j42
 UpdateCTestConfiguration  from :/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/DartConfiguration.tcl
 Parse Config file:/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/DartConfiguration.tcl
  Add coverage exclude regular expressions.
@@ -15025,6 +15061,138 @@
 20: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/geometryTestsCatch
 20: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry
 20: Test timeout computed to be: 1500
+test 21
+        Start  21: testPyGeometry
+
+21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/testGeometry.py"
+21: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap
+21: Test timeout computed to be: 1500
+test 22
+        Start  22: testMatrices
+
+22: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/testMatrices
+22: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics
+22: Test timeout computed to be: 1500
+test 23
+        Start  23: testConrec
+
+23: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/testConrec
+23: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics
+23: Test timeout computed to be: 1500
+test 24
+        Start  24: testAlignment
+
+24: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/testAlignment
+24: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment
+24: Test timeout computed to be: 1500
+test 25
+        Start  25: pyAlignment
+
+25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/testAlignment.py"
+25: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap
+25: Test timeout computed to be: 1500
+test 26
+        Start  26: testOptimizer
+
+26: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
+26: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer
+26: Test timeout computed to be: 1500
+test 27
+        Start  27: ForceFieldsCatch
+
+27: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/ForceFieldsCatch
+27: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField
+27: Test timeout computed to be: 1500
+test 28
+        Start  28: testUFFForceField
+
+28: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF/testUFFForceField
+28: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF
+28: Test timeout computed to be: 1500
+test 29
+        Start  29: testMMFFForceField
+
+29: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
+29: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF
+29: Test timeout computed to be: 1500
+test 30
+        Start  30: pyForceFieldConstraints
+
+30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/testConstraints.py"
+30: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap
+30: Test timeout computed to be: 1500
+test 31
+        Start  31: testDistGeom
+
+31: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/testDistGeom
+31: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom
+31: Test timeout computed to be: 1500
+test 32
+        Start  32: pyDistGeom
+
+32: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/rough_test.py"
+32: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap
+32: Test timeout computed to be: 1500
+test 33
+        Start  33: graphmolTest1
+
+33: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+33: Test timeout computed to be: 1500
+test 34
+        Start  34: graphmolcpTest
+
+34: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest
+34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+34: Test timeout computed to be: 1500
+test 35
+        Start  35: graphmolqueryTest
+
+35: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest
+35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+35: Test timeout computed to be: 1500
+test 36
+        Start  36: graphmolMolOpsTest
+
+36: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
+36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+36: Test timeout computed to be: 1500
+test 37
+        Start  37: graphmoltestChirality
+
+37: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
+37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+37: Test timeout computed to be: 1500
+test 38
+        Start  38: graphmoltestPickler
+
+38: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
+38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+38: Test timeout computed to be: 1500
+test 39
+        Start  39: graphmoltestPicklerGlobalSetting
+
+39: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
+39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+39: Test timeout computed to be: 1500
+test 40
+        Start  40: graphmolIterTest
+
+40: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest
+40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+40: Test timeout computed to be: 1500
+test 41
+        Start  41: hanoiTest
+
+41: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest
+41: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+41: Test timeout computed to be: 1500
+test 42
+        Start  42: graphmolMemTest1
+
+42: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1
+42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+42: Test timeout computed to be: 1500
 1: core
 1:      RDKit          2D
 1: 
@@ -15482,41 +15650,41 @@
 1:   2  5  1  0
 1: M  END
 1: 
-3: [12:06:48] Testing Github940: property dictionaries leaking memory
-3: [12:06:48] 	done
+3: [20:55:07] Testing Github940: property dictionaries leaking memory
+3: [20:55:07] 	done
 3: Testing RDValue
 3: Testing RDAny
 3: dict set int vect
 3: dict get int vect
-3: static boost any:0.00053 s
-3: dynamic boost any:0.002016 s
-3: static RDAny:0.00035 s
-3: dynamic RDAny:0.002112 s
+3: static boost any:0.000304 s
+3: dynamic boost any:0.000915 s
+3: static RDAny:0.000132 s
+3: dynamic RDAny:0.000842 s
 3: static RDValue:0 s
-3: dynamic RDValue:0.0005 s
+3: dynamic RDValue:0.000165 s
 3: deleted!
-3: [12:06:48] -------------------------------------
-3: [12:06:48] Testing String Pickle Roundtrips.
-3: [12:06:48] 	done
-3: [12:06:48] -------------------------------------
-3: [12:06:48] Testing conversion of vect to string.
-3: [12:06:48] 	done
-3: [12:06:48] -------------------------------------
-3: [12:06:48] Testing returning const references.
-3: [12:06:48] any cast
-3: [12:06:48] done: 0.001542 300000
-3: [12:06:48] copy
-3: [12:06:48] done: 0.00177 300000
-3: [12:06:48] ref
-3: [12:06:48] done: 0.001584 300000
-3: [12:06:48] dict
-3: [12:06:48] done: 0.004297 300000
-3: [12:06:48] ref with hasVal
-3: [12:06:48] done: 0.002404 300000
-3: [12:06:48] 	done
-3: [12:06:48] -------------------------------------
-3: [12:06:48] Testing dict update.
-3: [12:06:48] 	done
+3: [20:55:07] -------------------------------------
+3: [20:55:07] Testing String Pickle Roundtrips.
+3: [20:55:07] 	done
+3: [20:55:07] -------------------------------------
+3: [20:55:07] Testing conversion of vect to string.
+3: [20:55:07] 	done
+3: [20:55:07] -------------------------------------
+3: [20:55:07] Testing returning const references.
+3: [20:55:07] any cast
+3: [20:55:07] done: 0.000728 300000
+3: [20:55:07] copy
+3: [20:55:07] done: 0.000693 300000
+3: [20:55:07] ref
+3: [20:55:07] done: 0.000762 300000
+3: [20:55:07] dict
+3: [20:55:07] done: 0.00157 300000
+3: [20:55:07] ref with hasVal
+3: [20:55:07] done: 0.001496 300000
+3: [20:55:07] 	done
+3: [20:55:07] -------------------------------------
+3: [20:55:07] Testing dict update.
+3: [20:55:07] 	done
 3: deleted!
 3: deleted!
 3: deleted!
@@ -15535,48 +15703,48 @@
 4: == unsigned int
 4: == bool
 4: == std::string
-5: [12:06:48] 
+5: [20:55:07] 
 5: -----------------------------------------
-5: [12:06:48] Finished: testPushAndPop() 
-5: [12:06:48] 
+5: [20:55:07] Finished: testPushAndPop() 
+5: [20:55:07] 
 5: -----------------------------------------
-5: [12:06:48] 
+5: [20:55:07] 
 5: -----------------------------------------
-6: Randomness seeded to: 3054938284
+6: Randomness seeded to: 3308936722
 6: ===============================================================================
 6: All tests passed (32 assertions in 2 test cases)
 6: 
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: Randomness seeded to: 2999434018
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
-7: [12:06:48] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: Randomness seeded to: 645770009
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
+7: [20:55:07] should not be silent
 7: ===============================================================================
 7: All tests passed (26 assertions in 3 test cases)
 7: 
-8: [12:06:48] pass
-8: [12:06:48] v3 4
-8: [12:06:48] v4 5
-8: [12:06:48]  SPARSE -----------------------------------
-8: [12:06:48] Set 10: 0
-8: [12:06:48] Set 11: 0
-8: [12:06:48] Set 14: 0
-8: [12:06:48] Set 10: 1
-8: [12:06:48] Get 14: 1
-8: [12:06:48] Num: 20
-8: [12:06:48] NumOn: 3
-8: [12:06:48] NumOff: 17
+8: [20:55:07] pass
+8: [20:55:07] v3 4
+8: [20:55:07] v4 5
+8: [20:55:07]  SPARSE -----------------------------------
+8: [20:55:07] Set 10: 0
+8: [20:55:07] Set 11: 0
+8: [20:55:07] Set 14: 0
+8: [20:55:07] Set 10: 1
+8: [20:55:07] Get 14: 1
+8: [20:55:07] Num: 20
+8: [20:55:07] NumOn: 3
+8: [20:55:07] NumOff: 17
 8: 10, 11, 14, 
-8: [12:06:48] t2[19]: 0
-8: [12:06:48] t2[14]: 1
-8: [12:06:48] t2[19]: 0
-8: [12:06:48] t2[14]: 0
+8: [20:55:07] t2[19]: 0
+8: [20:55:07] t2[14]: 1
+8: [20:55:07] t2[19]: 0
+8: [20:55:07] t2[14]: 0
 8: t1: 10, 11, 14, 
 8: t2: 10, 11, 15, 17, 
 8: t1|t2: 10, 11, 14, 15, 17, 
@@ -15584,20 +15752,20 @@
 8: t1^t2: 14, 15, 17, 
 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
 8:  except 
-8: [12:06:48]  Explicit ----------------------------------
-8: [12:06:48] Set 10: 0
-8: [12:06:48] Set 11: 0
-8: [12:06:48] Set 14: 0
-8: [12:06:48] Set 10: 1
-8: [12:06:48] Get 14: 1
-8: [12:06:48] Num: 20
-8: [12:06:48] NumOn: 3
-8: [12:06:48] NumOff: 17
+8: [20:55:07]  Explicit ----------------------------------
+8: [20:55:07] Set 10: 0
+8: [20:55:07] Set 11: 0
+8: [20:55:07] Set 14: 0
+8: [20:55:07] Set 10: 1
+8: [20:55:07] Get 14: 1
+8: [20:55:07] Num: 20
+8: [20:55:07] NumOn: 3
+8: [20:55:07] NumOff: 17
 8: 10, 11, 14, 
-8: [12:06:48] t2[19]: 0
-8: [12:06:48] t2[14]: 1
-8: [12:06:48] t2[19]: 0
-8: [12:06:48] t2[14]: 0
+8: [20:55:07] t2[19]: 0
+8: [20:55:07] t2[14]: 1
+8: [20:55:07] t2[19]: 0
+8: [20:55:07] t2[14]: 0
 8: t1: 10, 11, 14, 
 8: t2: 10, 11, 15, 17, 
 8: t1|t2: 10, 11, 14, 15, 17, 
@@ -15605,34 +15773,34 @@
 8: t1^t2: 14, 15, 17, 
 8: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 
 8:  except 
-8: [12:06:48]  Done
-8: [12:06:48]  Test DiscreteValue Vectors 1 ----------------------------
-8: [12:06:48] Expected failure: Value out of range
-8: [12:06:48] Expected failure: Value out of range
-8: [12:06:48] Expected failure: Value out of range
-8: [12:06:48] Expected failure: Value out of range
-8: [12:06:48] Expected failure: Value out of range
-8: [12:06:48]  Test DiscreteValue Vectors 2 ------------------------------
-8: [12:06:48]  Test DiscreteValue Vectors 3 ---------------------------
-8: [12:06:48]  Test DiscreteValue Operations -----------------------------
-8: [12:06:48]  Test DiscreteValue Operations 2 -------------------------- 
-8: [12:06:48]  Test SparseIntVect  ------------------------------------
-8: [12:06:48]  Test SparseIntVect Serialization  --------------------------
-8: [12:06:48]  Test BitVect Serialization  -------------------------------
-8: [12:06:48]  Test BitVect to FPS  -------------------------------
-8: [12:06:48]  Test BitVect to binary string  -------------------------------
-8: [12:06:48]  Test Similarity Measures BitVect -------------------------------
-8: [12:06:48]  Test Similarity Measures SparseBitVect -------------------------------
-8: [12:06:48]  Test BitVect with all ones -------------------------------
-8: [12:06:48]  Test Explicit BitVects: Concatenation Operation  -------------------------------
-8: [12:06:48]  Test bitmap operations  -------------------------------
-8: [12:06:48]  Test bitmaps as properties -------------------------------
-8: [12:06:48]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
-8: [12:06:48]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
-8: [12:06:48]  Test RealValue Vectors 2: L1Norm -------------------------------
-8: [12:06:48]  Test RealValue Vectors 3: Pickles -------------------------------
-8: [12:06:48]  Test RealValue Vectors 4: Vector Operations  -------------------------------
-11: Randomness seeded to: 2627674565
+8: [20:55:07]  Done
+8: [20:55:07]  Test DiscreteValue Vectors 1 ----------------------------
+8: [20:55:07] Expected failure: Value out of range
+8: [20:55:07] Expected failure: Value out of range
+8: [20:55:07] Expected failure: Value out of range
+8: [20:55:07] Expected failure: Value out of range
+8: [20:55:07] Expected failure: Value out of range
+8: [20:55:07]  Test DiscreteValue Vectors 2 ------------------------------
+8: [20:55:07]  Test DiscreteValue Vectors 3 ---------------------------
+8: [20:55:07]  Test DiscreteValue Operations -----------------------------
+8: [20:55:07]  Test DiscreteValue Operations 2 -------------------------- 
+8: [20:55:07]  Test SparseIntVect  ------------------------------------
+8: [20:55:07]  Test SparseIntVect Serialization  --------------------------
+8: [20:55:07]  Test BitVect Serialization  -------------------------------
+8: [20:55:07]  Test BitVect to FPS  -------------------------------
+8: [20:55:07]  Test BitVect to binary string  -------------------------------
+8: [20:55:07]  Test Similarity Measures BitVect -------------------------------
+8: [20:55:07]  Test Similarity Measures SparseBitVect -------------------------------
+8: [20:55:07]  Test BitVect with all ones -------------------------------
+8: [20:55:07]  Test Explicit BitVects: Concatenation Operation  -------------------------------
+8: [20:55:07]  Test bitmap operations  -------------------------------
+8: [20:55:07]  Test bitmaps as properties -------------------------------
+8: [20:55:07]  Test #3944: SparseIntVect copy constructor and assignment operators not clearing existing data-------------------------------
+8: [20:55:07]  Test RealValue Vectors 1: Constructors and Accessing Values -------------------------------
+8: [20:55:07]  Test RealValue Vectors 2: L1Norm -------------------------------
+8: [20:55:07]  Test RealValue Vectors 3: Pickles -------------------------------
+8: [20:55:07]  Test RealValue Vectors 4: Vector Operations  -------------------------------
+11: Randomness seeded to: 3807473336
 11: ===============================================================================
 11: All tests passed (3 assertions in 1 test case)
 11: 
@@ -15644,8 +15812,8 @@
 17: testPointOps2D
 17: ****************************************
 17: test12D
-17: ref1: 1.75 1.963  ref2: 1.28318 4.39084 
-17: pt1: 0.47395 1.63759  pt2: 1.55604 0.353113 
+17: ref1: 1.3802 3.30255  ref2: 1.57078 3.88361 
+17: pt1: 4.32544 3.7796  pt2: 2.06677 3.71545 
 17: ****************************************
 17: test23D
 17: ****************************************
@@ -15660,73 +15828,6 @@
 17: ****************************************
 17: testFromQuaternion
 17: ****************************************
-  1/235 Test   #3: testDict ...............................   Passed    0.14 sec
-  2/235 Test   #4: testRDValue ............................   Passed    0.14 sec
-  3/235 Test   #6: dictTestsCatch .........................   Passed    0.12 sec
-  4/235 Test   #7: logTestsCatch ..........................   Passed    0.12 sec
-  5/235 Test   #8: testDataStructs ........................   Passed    0.11 sec
-  6/235 Test   #9: testFPB ................................   Passed    0.11 sec
-  7/235 Test  #10: testMultiFPB ...........................   Passed    0.11 sec
-  8/235 Test  #11: catchDataStructs .......................   Passed    0.10 sec
-  9/235 Test  #17: testTransforms .........................   Passed    0.06 sec
-test 21
-        Start  21: testPyGeometry
-
-21: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Geometry/Wrap/testGeometry.py"
-21: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Geometry/Wrap
-21: Test timeout computed to be: 1500
-test 22
-        Start  22: testMatrices
-
-22: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/testMatrices
-22: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics
-22: Test timeout computed to be: 1500
-test 23
-        Start  23: testConrec
-
-23: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/testConrec
-23: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics
-23: Test timeout computed to be: 1500
-test 24
-        Start  24: testAlignment
-
-24: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/testAlignment
-24: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment
-24: Test timeout computed to be: 1500
-test 25
-        Start  25: pyAlignment
-
-25: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/Numerics/Alignment/Wrap/testAlignment.py"
-25: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Alignment/Wrap
-25: Test timeout computed to be: 1500
-test 26
-        Start  26: testOptimizer
-
-26: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer/testOptimizer
-26: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Numerics/Optimizer
-26: Test timeout computed to be: 1500
-test 27
-        Start  27: ForceFieldsCatch
-
-27: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/ForceFieldsCatch
-27: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField
-27: Test timeout computed to be: 1500
-test 28
-        Start  28: testUFFForceField
-
-28: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF/testUFFForceField
-28: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/UFF
-28: Test timeout computed to be: 1500
-test 29
-        Start  29: testMMFFForceField
-
-29: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF/testMMFFForceField
-29: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/MMFF
-29: Test timeout computed to be: 1500
-20: Randomness seeded to: 3540204131
-20: ===============================================================================
-20: All tests passed (50 assertions in 5 test cases)
-20: 
 18: ***********************************************************
 18: Testing Grid
 18: 	---------------------------------
@@ -15758,16 +15859,20 @@
 19: 	---------------------------------
 19: 	 test4UniformRealValueGrid3DOps 
 19: 
-22: [12:06:48] -----------------------------------------
-22: [12:06:48] Testing RDNumerics: vectors and matrices Code
-22: [12:06:48] ---------------------------------------
-22: [12:06:48] 	 test1Vector
-22: [12:06:48] ---------------------------------------
-22: [12:06:48] 	 test2Matrix
-22: [12:06:48] ---------------------------------------
-22: [12:06:48] 	 test3SquareMatrix
-22: [12:06:48] ---------------------------------------
-22: [12:06:48] 	 test4SymmMatrix
+20: Randomness seeded to: 3521201163
+20: ===============================================================================
+20: All tests passed (50 assertions in 5 test cases)
+20: 
+22: [20:55:07] -----------------------------------------
+22: [20:55:07] Testing RDNumerics: vectors and matrices Code
+22: [20:55:07] ---------------------------------------
+22: [20:55:07] 	 test1Vector
+22: [20:55:07] ---------------------------------------
+22: [20:55:07] 	 test2Matrix
+22: [20:55:07] ---------------------------------------
+22: [20:55:07] 	 test3SquareMatrix
+22: [20:55:07] ---------------------------------------
+22: [20:55:07] 	 test4SymmMatrix
 24: -----------------------------------------
 24: Testing Alignment Code
 24: ---------------------------------------
@@ -15785,48 +15890,111 @@
 26: -------------------------------------
 26: Testing BFGS optimization.
 26:   done
- 10/235 Test  #18: testGrid ...............................   Passed    0.17 sec
- 11/235 Test  #19: testRealValueGrid ......................   Passed    0.15 sec
- 12/235 Test  #20: geometryTestsCatch .....................   Passed    0.14 sec
- 13/235 Test  #22: testMatrices ...........................   Passed    0.10 sec
+  1/235 Test   #3: testDict ...............................   Passed    0.10 sec
+  2/235 Test   #4: testRDValue ............................   Passed    0.10 sec
+  3/235 Test   #6: dictTestsCatch .........................   Passed    0.10 sec
+  4/235 Test   #7: logTestsCatch ..........................   Passed    0.09 sec
+  5/235 Test   #8: testDataStructs ........................   Passed    0.09 sec
+  6/235 Test   #9: testFPB ................................   Passed    0.09 sec
+  7/235 Test  #10: testMultiFPB ...........................   Passed    0.09 sec
+  8/235 Test  #11: catchDataStructs .......................   Passed    0.09 sec
+  9/235 Test  #17: testTransforms .........................   Passed    0.08 sec
+ 10/235 Test  #18: testGrid ...............................   Passed    0.08 sec
+ 11/235 Test  #19: testRealValueGrid ......................   Passed    0.07 sec
+ 12/235 Test  #20: geometryTestsCatch .....................   Passed    0.07 sec
+ 13/235 Test  #22: testMatrices ...........................   Passed    0.07 sec
  14/235 Test  #24: testAlignment ..........................   Passed    0.07 sec
- 15/235 Test  #26: testOptimizer ..........................   Passed    0.05 sec
-test 30
-        Start  30: pyForceFieldConstraints
+ 15/235 Test  #26: testOptimizer ..........................   Passed    0.06 sec
+test 43
+        Start  43: resMolSupplierTest
 
-30: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ForceField/Wrap/testConstraints.py"
-30: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ForceField/Wrap
-30: Test timeout computed to be: 1500
-test 31
-        Start  31: testDistGeom
+43: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest
+43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+43: Test timeout computed to be: 1500
+test 44
+        Start  44: molBundleTest
 
-31: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/testDistGeom
-31: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom
-31: Test timeout computed to be: 1500
-test 32
-        Start  32: pyDistGeom
+44: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest
+44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+44: Test timeout computed to be: 1500
+test 45
+        Start  45: testSGroup
 
-32: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DistGeom/Wrap/rough_test.py"
-32: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DistGeom/Wrap
-32: Test timeout computed to be: 1500
-test 33
-        Start  33: graphmolTest1
+45: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup
+45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+45: Test timeout computed to be: 1500
+test 46
+        Start  46: test-valgrind
 
-33: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-33: Test timeout computed to be: 1500
-test 34
-        Start  34: graphmolcpTest
+46: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
+46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+46: Test timeout computed to be: 1500
+test 47
+        Start  47: graphmolTestsCatch
 
-34: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolcpTest
-34: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-34: Test timeout computed to be: 1500
-test 35
-        Start  35: graphmolqueryTest
+47: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+47: Test timeout computed to be: 1500
+test 48
+        Start  48: graphmolOrganometallicsCatch
 
-35: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolqueryTest
-35: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-35: Test timeout computed to be: 1500
+48: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
+48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+48: Test timeout computed to be: 1500
+test 49
+        Start  49: graphmolSGroupCatch
+
+49: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
+49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+49: Test timeout computed to be: 1500
+test 50
+        Start  50: graphmolAdjustQueryCatch
+
+50: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
+50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+50: Test timeout computed to be: 1500
+test 51
+        Start  51: chiralityTestsCatch
+
+51: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
+51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+51: Test timeout computed to be: 1500
+test 52
+        Start  52: canonTestsCatch
+
+52: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
+52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+52: Test timeout computed to be: 1500
+test 53
+        Start  53: moliteratorTestsCatch
+
+53: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
+53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+53: Test timeout computed to be: 1500
+test 54
+        Start  54: queryTestsCatch
+
+54: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
+54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+54: Test timeout computed to be: 1500
+test 55
+        Start  55: molbundleTestsCatch
+
+55: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
+55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+55: Test timeout computed to be: 1500
+test 56
+        Start  56: pickleTestsCatch
+
+56: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
+56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+56: Test timeout computed to be: 1500
+test 57
+        Start  57: tableTestsCatch
+
+57: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/tableTestsCatch
+57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+57: Test timeout computed to be: 1500
 28: -------------------------------------
 28: Unit tests for force field basics.
 28:   done
@@ -15873,16 +16041,17 @@
 28:   done
 28: -------------------------------------
 28: Unit tests for all UFF constraint terms.
-27: Randomness seeded to: 2666000836
-27: ===============================================================================
-27: All tests passed (20 assertions in 2 test cases)
-27: 
-23: Randomness seeded to: 1772902403
+28:   done
+28: -------------------------------------
+28: Unit tests for copying UFF ForceFields.
+28:   done
+28: -------------------------------------
+28: Unit test for UFF butane scan.
+23: Randomness seeded to: 729282173
 23: ===============================================================================
 23: All tests passed (76 assertions in 3 test cases)
 23: 
-29: -------------------------------------
-29: Official MMFF validation suite.
+ 16/235 Test  #23: testConrec .............................   Passed    0.19 sec
 31: ***********************************************************
 31:    test1 
 31: ***********************************************************
@@ -15894,32 +16063,478 @@
 31:       1      1      1      0
 31: ***********************************************************
 31: 
- 16/235 Test  #23: testConrec .............................   Passed    0.16 sec
- 17/235 Test  #27: ForceFieldsCatch .......................   Passed    0.11 sec
- 18/235 Test  #31: testDistGeom ...........................   Passed    0.06 sec
-test 36
-        Start  36: graphmolMolOpsTest
-
-36: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMolOpsTest
-36: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-36: Test timeout computed to be: 1500
-test 37
-        Start  37: graphmoltestChirality
-
-37: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestChirality
-37: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-37: Test timeout computed to be: 1500
-test 38
-        Start  38: graphmoltestPickler
-
-38: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPickler
-38: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-38: Test timeout computed to be: 1500
+ 17/235 Test  #31: testDistGeom ...........................   Passed    0.17 sec
+29: -------------------------------------
+29: Official MMFF validation suite.
+27: Randomness seeded to: 3860680878
+27: ===============================================================================
+27: All tests passed (20 assertions in 2 test cases)
+27: 
+ 18/235 Test  #27: ForceFieldsCatch .......................   Passed    0.18 sec
+33: Atoms:
+33: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 
+33: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 
+33: 	2 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: 
+33: 	3 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
+33: 	4 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
+33: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 
+33: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 
+33: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb:  arom?: 1 query: AtomAtomicNum
+33: 	8 22 Ti chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+33: Bonds:
+33: 	0 0->1 order: 1
+33: 	1 1->2 order: 2
+33: 	2 2->3 order: 1
+33: 	3 0->4 order: 1
+33: 	4 5->6 order: 3
+33: 	5 6->7 order: 1
+33: 	6 7->8 order: 2
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x000055BA3F72504C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F71F081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x000055BA3F713312 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F71F081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: attempt to add self-bond
+33: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp
+33: Failed Expression: atomIdx1 != atomIdx2
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x000055BA3F7134F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F71F081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: bond already exists
+33: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp
+33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x000055BA3F713535 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F71F081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: attempt to add self-bond
+33: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp
+33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+33:  3# 0x000055BA3F713668 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F71F081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] Explicit valence for atom # 0 B, 4, is greater than permitted
+33: [20:55:07] Explicit valence for atom # 0 B, 4, is greater than permitted
+33: [20:55:07] 
+33: 
+33: ****
+33: Post-condition Violation
+33: Element 'Xx' not found
+33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+33: Failed Expression: anum > -1
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x000055BA3F747987 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x000055BA3F7304FD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  5# 0x000055BA3F71F090 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  6# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  8# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test github381: thread-safe initialization of the periodic table
+33: [20:55:07]   done
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x000055BA3F73DB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x000055BA3F71F0BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x000055BA3F71E9BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x000055BA3F71F0BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07]   done
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test github1041: Segfault for atom with no owner (expect some warnings)
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x000055BA3F73DB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x000055BA3F71F0C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07] 
+33: 
+33: ****
+33: Pre-condition Violation
+33: no owner
+33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
+33: Failed Expression: dp_mol
+33: ----------
+33: Stacktrace:
+33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+33:  2# 0x000055BA3F71E9BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  3# 0x000055BA3F71F0C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33:  4# 0x00007F81B7233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+33:  6# 0x000055BA3F71F121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
+33: ----------
+33: ****
+33: 
+33: [20:55:07]   done
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test github1453: RWMol.clear() should reset the numBonds count.
+33: [20:55:07]   done
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test range-based for loops.
+33: [20:55:07]   done
+33: [20:55:07] -------------------------------------
+33: [20:55:07]     Test github1642: Atom index type is too low for big molecules.
 34: 
 34: 
 34: 
 34: COPY
-35: [12:06:48] ---------------------- Test1
+ 19/235 Test  #34: graphmolcpTest .........................   Passed    0.17 sec
+35: [20:55:07] ---------------------- Test1
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test2
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test3
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test4
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test5
+35: [20:55:07] Done!
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test issue 2892580
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test github issue 53: query molecules not matching [R]
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test queries using qualifiers instead of ==
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test extra atom queries
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test extra bond queries
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test num heteroatom neighbor queries
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test atom type queries
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
+35: [20:55:07] Done!
+35: [20:55:07] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
+35: [20:55:07] Done!
+ 20/235 Test  #35: graphmolqueryTest ......................   Passed    0.16 sec
+36: 1 1 2 
+36: 1 1 1 
+36: 2 1 0.75 
+36: path: 2
+36: [20:55:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [20:55:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
+36: [20:55:07] Explicit valence for atom # 0 B, 5, is greater than permitted
+36: [20:55:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:55:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:55:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+36: [20:55:07] Explicit valence for atom # 1 Si, 7, is greater than permitted
+36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
+ 21/235 Test  #42: graphmolMemTest1 .......................   Passed    0.14 sec
+test 58
+        Start  58: molopsTestsCatch
+
+58: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molopsTestsCatch
+58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
+58: Test timeout computed to be: 1500
+test 59
+        Start  59: smiTest1
+
+59: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
+59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+59: Test timeout computed to be: 1500
+test 60
+        Start  60: smiTest2
+
+60: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
+60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+60: Test timeout computed to be: 1500
+test 61
+        Start  61: cxsmilesTest
+
+61: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
+61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+61: Test timeout computed to be: 1500
+test 62
+        Start  62: smaTest1
+
+62: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
+62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+62: Test timeout computed to be: 1500
+test 63
+        Start  63: smiTestCatch
+
+63: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+63: Test timeout computed to be: 1500
+39: [20:55:07] 	done
+ 22/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.20 sec
+ 23/235 Test  #40: graphmolIterTest .......................   Passed    0.20 sec
+41: [20:55:07] Testing the hanoi sort
+41: [20:55:07] populating vectors
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing String Pickle Roundtrips.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing reading existing pickle file (v2).
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing combining molecules using pickles.
+38: Atoms:
+38: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	2 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	3 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	4 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: 	5 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: SP3
+38: 	6 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
+38: Bonds:
+38: 	0 0->1 order: 1
+38: 	1 1->2 order: 1
+38: 	2 2->0 order: 1
+38: 	3 3->4 order: 1
+38: 	4 4->5 order: 1
+38: 	5 5->6 order: 1
+38: 	6 6->3 order: 1
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Issue164: Roundtrip Pickle Failure.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Issue219: Pickle Failure with Conformations.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Issue220: Pickle problems with bond stereochemistry.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing query serialization.
+38: [20:55:07] C=[$(C=O)]
+38: [20:55:07] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing radical handling in pickles.
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 2788233.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 3202580.
+38:   mass! 13.0034
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 3316407.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 3496759.
+38: smi match: *C *C
+38: smi match: **=* **=*
+38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
+38: smi match: *OS(=O)OC *OS(=O)OC
+38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
+38: smi match: O=COC=O O=COC=O
+38: smi match: OO OO
+38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
+38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
+38: smi match: nnnOC=O nnnOC=O
+38: smi match: *=C=N *=C=N
+38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
+38: smi match: SP(S)=S SP(S)=S
+38: smi match: NP(N)(N)=O NP(N)(N)=O
+38: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
+38: smi match: *CC=O *CC=O
+38: smi match: NNC=O NNC=O
+38: smi match: * *
+38: smi match: C=P C=P
+38: smi match: CC(=N)Cl CC(=N)Cl
+38: smi match: N=O N=O
+38: smi match: ** **
+38: smi match: N=C=N N=C=N
+38: smi match: [C-]#[NH+] [C-]#[NH+]
+38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
+38: smi match: N#CC[OH] N#CC[OH]
+38: smi match: N#CC=O N#CC=O
+38: smi match: N#CS(=O)=O N#CS(=O)=O
+38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
+38: smi match: N#CN=N N#CN=N
+38: smi match: N=NCC=O N=NCC=O
+38: smi match: CCCCCCC CCCCCCC
+38: smi match: OCCOCCO OCCOCCO
+38: smi match: SS SS
+38: smi match: [SH] [SH]
+38: smi match: *1CC1 *1CC1
+38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
+38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
+38: smi match: NC(=S)N=N NC(=S)N=N
+38: smi match: N#CS N#CS
+38: smi match: cC[N+] cC[N+]
+38: smi match: C*C=S C*C=S
+38: smi match: N[CH2]C#N N[CH2]C#N
+38: smi match: O=C1CCO1 O=C1CCO1
+38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH]
+38: smi match: O=C1CCN1 O=C1CCN1
+38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1
+38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C
+38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1
+38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
+38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
+38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
+38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
+38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
+38: smi match: cN(=O)~O cN(=O)~O
+38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O
+38: smi match: N~NC=O N~NC=O
+38: smi match: *=N~C *=N~C
+38: smi match: CO*(=O)=O CO*(=O)=O
+38: smi match: * *
+38: smi match: * *
+38: smi match: *C=C *C=C
+38: smi match: N#CS N#CS
+38: smi match: *C=S *C=S
+38: smi match: *N *N
+38: smi match: *C(=C)C=O *C(=C)C=O
+38: smi match: *C#C *C#C
+38: smi match: N#CCO N#CCO
+38: smi match: O=N(=O)CCO O=N(=O)CCO
+38: smi match: N=CS N=CS
+38: smi match: O=CNC(O)C=O O=CNC(O)C=O
+38: smi match: C=C(C=O)C=O C=C(C=O)C=O
+38: smi match: N=CC=O N=CC=O
+38: smi match: *C(C=O)C=O *C(C=O)C=O
+38: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O
+38: smi match: O=CC=CC=O O=CC=CC=O
+38: smi match: O=CN(O)C=O O=CN(O)C=O
+38: smi match: O=CN(S)C=O O=CN(S)C=O
+38: smi match: O=CNC=O O=CNC=O
+38: smi match: O=CNN=O O=CNN=O
+38: smi match: O=CNNC=O O=CNNC=O
+37: --------------------------
+37: --------------------------
+37: C/C=C/C(C)Cl
 1: cyclosporine a
 1:      RDKit          2D
 1: 
@@ -16188,170 +16803,6 @@
 1:  10  2  1  0
 1: M  END
 1: 
-33: Atoms:
-33: 	0 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: 
-33: 	1 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: 
-33: 	2 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: 
-33: 	3 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
-33: 	4 6 C chg: 0  deg: 1 exp: 1 imp: 3 hyb: 
-33: 	5 6 C chg: 0  deg: 1 exp: 3 imp: 1 hyb: 
-33: 	6 6 C chg: 0  deg: 2 exp: 4 imp: 0 hyb: 
-33: 	7 7 N chg: 0  deg: 2 exp: 1 imp: 2 hyb:  arom?: 1 query: AtomAtomicNum
-33: 	8 22 Ti chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-33: Bonds:
-33: 	0 0->1 order: 1
-33: 	1 1->2 order: 2
-33: 	2 2->3 order: 1
-33: 	3 0->4 order: 1
-33: 	4 5->6 order: 3
-33: 	5 6->7 order: 1
-33: 	6 7->8 order: 2
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000563F536C404C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536BE081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 499 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: !(boost::edge(atomIdx1, atomIdx2, d_graph).second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000563F536B2312 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536BE081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: attempt to add self-bond
-33: Violation occurred on line 498 in file ./Code/GraphMol/RWMol.cpp
-33: Failed Expression: atomIdx1 != atomIdx2
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000563F536B24F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536BE081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: bond already exists
-33: Violation occurred on line 419 in file ./Code/GraphMol/ROMol.cpp
-33: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(), d_graph) .second)
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000563F536B2535 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536BE081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: attempt to add self-bond
-33: Violation occurred on line 417 in file ./Code/GraphMol/ROMol.cpp
-33: Failed Expression: bond_pin->getBeginAtomIdx() != bond_pin->getEndAtomIdx()
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-33:  3# 0x0000563F536B2668 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536BE081 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] Explicit valence for atom # 0 B, 4, is greater than permitted
-33: [12:06:48] Explicit valence for atom # 0 B, 4, is greater than permitted
- 19/235 Test  #34: graphmolcpTest .........................   Passed    0.08 sec
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test2
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test3
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test4
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test5
-35: [12:06:48] Done!
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test issue 2892580
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test github issue 53: query molecules not matching [R]
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test queries using qualifiers instead of ==
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test Github issue 165: radicals not used in atom-atom matching
-35: [12:06:48] Done!
-test 39
-        Start  39: graphmoltestPicklerGlobalSetting
-
-39: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmoltestPicklerGlobalSetting
-39: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-39: Test timeout computed to be: 1500
-35: [12:06:48] ---------------------- Test extra atom queries
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test extra bond queries
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test num heteroatom neighbor queries
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test atom type queries
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Test Github #2471: dummy atom queries are flagged as complex
-35: [12:06:48] Done!
-35: [12:06:48] ---------------------- Testing hasBondTypeQuery() and hasComplexBondTypeQuery()
-35: [12:06:48] Done!
- 20/235 Test  #35: graphmolqueryTest ......................   Passed    0.08 sec
-test 40
-        Start  40: graphmolIterTest
-
-40: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolIterTest
-40: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-40: Test timeout computed to be: 1500
 1: github 4845 - nan coordinates but no crash
 1:      RDKit          2D
 1: 
@@ -16444,892 +16895,45 @@
 1:  30 11  1  0
 1: M  END
 1: 
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing String Pickle Roundtrips.
-33: [12:06:48] 
-33: 
-33: ****
-33: Post-condition Violation
-33: Element 'Xx' not found
-33: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-33: Failed Expression: anum > -1
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000563F536E6987 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x0000563F536CF4FD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  5# 0x0000563F536BE090 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  6# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  8# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test github381: thread-safe initialization of the periodic table
-37: --------------------------
-37: --------------------------
-37: C/C=C/C(C)Cl
-13: ......
-13: ----------------------------------------------------------------------
-13: Ran 6 tests in 0.008s
-13: 
-13: OK
-36: 1 1 2 
-36: 1 1 1 
-36: 2 1 0.75 
-36: path: 2
-36: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-36: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 10 ignored
-39: [12:06:48] 	done
-14: ......
-14: ----------------------------------------------------------------------
-14: Ran 6 tests in 0.003s
-14: 
-14: OK
- 21/235 Test  #39: graphmoltestPicklerGlobalSetting .......   Passed    0.07 sec
-test 41
-        Start  41: hanoiTest
-
-41: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/hanoiTest
-41: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-41: Test timeout computed to be: 1500
-15: .........
-15: ----------------------------------------------------------------------
-15: Ran 9 tests in 0.015s
-15: 
-15: OK
-16: .........
-16: ----------------------------------------------------------------------
-16: Ran 9 tests in 0.058s
-16: 
-16: OK
- 22/235 Test  #40: graphmolIterTest .......................   Passed    0.08 sec
-33: [12:06:48]   done
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [12:06:48] 
-33: 
-33: ****
-test 42
-        Start  42: graphmolMemTest1
-
-42: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolMemTest1
-42: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-42: Test timeout computed to be: 1500
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000563F536DCB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000563F536BE0BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000563F536BD9BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000563F536BE0BD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48]   done
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test github1041: Segfault for atom with no owner (expect some warnings)
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000563F536DCB9B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000563F536BE0C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48] 
-33: 
-33: ****
-33: Pre-condition Violation
-33: no owner
-33: Violation occurred on line 187 in file ./Code/GraphMol/Bond.h
-33: Failed Expression: dp_mol
-33: ----------
-33: Stacktrace:
-33:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-33:  2# 0x0000563F536BD9BE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  3# 0x0000563F536BE0C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33:  4# 0x00007EFC47E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-33:  5# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-33:  6# 0x0000563F536BE121 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTest1
-33: ----------
-33: ****
-33: 
-33: [12:06:48]   done
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test github1453: RWMol.clear() should reset the numBonds count.
-33: [12:06:48]   done
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test range-based for loops.
-33: [12:06:48]   done
-33: [12:06:48] -------------------------------------
-33: [12:06:48]     Test github1642: Atom index type is too low for big molecules.
-36: [12:06:48] Explicit valence for atom # 0 B, 5, is greater than permitted
-36: [12:06:48] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [12:06:48] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [12:06:48] Explicit valence for atom # 1 C, 5, is greater than permitted
-36: [12:06:48] Explicit valence for atom # 1 Si, 7, is greater than permitted
- 23/235 Test   #1: testCoordGen ...........................   Passed    0.53 sec
-test 43
-        Start  43: resMolSupplierTest
-
-43: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/resMolSupplierTest
-43: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-43: Test timeout computed to be: 1500
-28:   done
-28: -------------------------------------
-28: Unit tests for copying UFF ForceFields.
- 24/235 Test  #42: graphmolMemTest1 .......................   Passed    0.04 sec
-test 44
-        Start  44: molBundleTest
-
-44: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molBundleTest
-44: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-44: Test timeout computed to be: 1500
-41: [12:06:48] Testing the hanoi sort
-41: [12:06:48] populating vectors
- 25/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.47 sec
- 26/235 Test  #14: pyRealValueVect ........................   Passed    0.47 sec
-test 45
-        Start  45: testSGroup
-
-45: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/testSGroup
-45: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-45: Test timeout computed to be: 1500
-test 46
-        Start  46: test-valgrind
-
-46: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/test-valgrind
-46: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-46: Test timeout computed to be: 1500
-37: [12:06:48] Conflicting single bond directions around double bond at index 2.
-37: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [12:06:48] Conflicting single bond directions around double bond at index 4.
-37: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [12:06:48] Conflicting single bond directions around double bond at index 15.
-37: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [12:06:48] Conflicting single bond directions around double bond at index 2.
-37: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-37: [12:06:48] Conflicting single bond directions around double bond at index 1.
-37: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing reading existing pickle file (v2).
-28:   done
-28: -------------------------------------
-28: Unit test for UFF butane scan.
- 27/235 Test  #15: pySparseIntVect ........................   Passed    0.50 sec
-test 47
-        Start  47: graphmolTestsCatch
-
-47: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-47: Test timeout computed to be: 1500
- 28/235 Test  #44: molBundleTest ..........................   Passed    0.05 sec
-test 48
-        Start  48: graphmolOrganometallicsCatch
-
-48: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolOrganometallicsCatch
-48: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-48: Test timeout computed to be: 1500
-37: --------------------------------------------------
- 29/235 Test  #37: graphmoltestChirality ..................   Passed    0.24 sec
-test 49
-        Start  49: graphmolSGroupCatch
+ 24/235 Test   #1: testCoordGen ...........................   Passed    0.29 sec
+ 25/235 Test  #44: molBundleTest ..........................   Passed    0.18 sec
+ 26/235 Test  #46: test-valgrind ..........................   Passed    0.16 sec
+test 64
+        Start  64: nontetrahedralCatch
 
-49: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolSGroupCatch
-49: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-49: Test timeout computed to be: 1500
- 30/235 Test  #46: test-valgrind ..........................   Passed    0.06 sec
-test 50
-        Start  50: graphmolAdjustQueryCatch
+64: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
+64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+64: Test timeout computed to be: 1500
+test 65
+        Start  65: v2smiTestCatch
 
-50: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolAdjustQueryCatch
-50: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-50: Test timeout computed to be: 1500
-47: Randomness seeded to: 233664933
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 1 N, 6, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 1 N, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 2 O, 3, is greater than permitted
-47: [12:06:48] non-ring atom 2 marked aromatic
-47: [12:06:48] non-ring atom 2 marked aromatic
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 1 2 3
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-47: [12:06:48] Explicit valence for atom # 1 O, 3, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 4 F, 2, is greater than permitted
- 31/235 Test  #16: pyFPB ..................................   Passed    0.56 sec
-test 51
-        Start  51: chiralityTestsCatch
+65: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
+65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
+65: Test timeout computed to be: 1500
+test 66
+        Start  66: testDepictor
 
-51: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/chiralityTestsCatch
-51: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-51: Test timeout computed to be: 1500
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 6 7 8
-47: [12:06:48] Explicit valence for atom # 1 C, 5, is greater than permitted
-47: [12:06:48] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [12:06:48] WARNING: not removing hydrogen atom with dummy atom neighbors
-47: [12:06:48] WARNING: not removing hydrogen atom with wedged bond
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] Unreasonable formal charge on atom # 0.
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing combining molecules using pickles.
-38: Atoms:
-38: 	0 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	1 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	2 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	3 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	4 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: 	5 8 O chg: 0  deg: 2 exp: 2 imp: 0 hyb: SP3
-38: 	6 6 C chg: 0  deg: 2 exp: 2 imp: 2 hyb: SP3
-38: Bonds:
-38: 	0 0->1 order: 1
-38: 	1 1->2 order: 1
-38: 	2 2->0 order: 1
-38: 	3 3->4 order: 1
-38: 	4 4->5 order: 1
-38: 	5 5->6 order: 1
-38: 	6 6->3 order: 1
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Issue164: Roundtrip Pickle Failure.
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no atom
-47: Violation occurred on line 181 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: at
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3B9A8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no owner
-47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-47: Failed Expression: dp_mol
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BA32 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: atom not associated with this molecule
-47: Violation occurred on line 182 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: &at->getOwningMol() == this
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BAC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no atom
-47: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: at
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BBB0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no owner
-47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-47: Failed Expression: dp_mol
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BC41 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: atom not associated with this molecule
-47: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: &at->getOwningMol() == this
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BCDD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no atom
-47: Violation occurred on line 371 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: at
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3C5F9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: no owner
-47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
-47: Failed Expression: dp_mol
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BE48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: atom not associated with this molecule
-47: Violation occurred on line 372 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: &at->getOwningMol() == this
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3BEE2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-2: ....
-2: ----------------------------------------------------------------------
-2: Ran 4 tests in 0.090s
-2: 
-2: OK
-47: Pre-condition Violation
-47: null atom passed in
-47: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: atom_pin
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3C5D1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: cannot take ownership of an atom which already has an owner
-47: Violation occurred on line 387 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3C1F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: cannot take ownership of an bond which already has an owner
-47: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp
-47: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6C3C5AD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-47: [12:06:48] WARNING: not removing hydrogen atom without neighbors
-47: [12:06:48] Explicit valence for atom # 1 F greater than permitted
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: plain atoms have no Query
-47: Violation occurred on line 691 in file ./Code/GraphMol/Atom.cpp
-47: Failed Expression: 0
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::Atom::setQuery(Queries::Query<int, RDKit::Atom const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6BE510B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: plain atoms have no Query
-47: Violation occurred on line 696 in file ./Code/GraphMol/Atom.cpp
-47: Failed Expression: 0
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::Atom::expandQuery(Queries::Query<int, RDKit::Atom const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6BE51A0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: plain bonds have no Query
-47: Violation occurred on line 207 in file ./Code/GraphMol/Bond.cpp
-47: Failed Expression: 0
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::Bond::setQuery(Queries::Query<int, RDKit::Bond const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6BE4E30 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-47: [12:06:48] 
-47: 
-47: ****
-47: Pre-condition Violation
-47: plain bonds have no query
-47: Violation occurred on line 228 in file ./Code/GraphMol/Bond.cpp
-47: Failed Expression: 0
-47: ----------
-47: Stacktrace:
-47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-47:  2# RDKit::Bond::expandQuery(Queries::Query<int, RDKit::Bond const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-47:  3# 0x0000563BC6BE4EC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  4# 0x0000563BC6C88CB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  5# 0x0000563BC6C897D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  6# 0x0000563BC6C89C50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  7# 0x0000563BC6C5B2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  8# 0x0000563BC6C5B62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47:  9# 0x0000563BC6BD780E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: 10# 0x00007FBDEFC30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-47: 12# 0x0000563BC6BD7851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
-47: ----------
-47: ****
-47: 
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Issue219: Pickle Failure with Conformations.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Issue220: Pickle problems with bond stereochemistry.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing query serialization.
-38: [12:06:48] C=[$(C=O)]
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-38: [12:06:48] S(=O)(=O)-[C&H2][F,Br,I,Cl] S(=O)(=O)-[C&H2][F,Br,I,Cl]
-47: [12:06:48] Unusual charge on atom 0 number of radical electrons set to zero
-47: [12:06:48] Unusual charge on atom 0 number of radical electrons set to zero
-47: [12:06:48] Unusual charge on atom 0 number of radical electrons set to zero
-47: [12:06:48] non-ring atom 0 marked aromatic
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing radical handling in pickles.
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 2788233.
-49: Randomness seeded to: 3810161530
-49: ===============================================================================
-49: All tests passed (136 assertions in 8 test cases)
-49: 
-47: [12:06:48] non-ring atom 0 marked aromatic
-47: [12:06:48] Explicit valence for atom # 1 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 3 N, 4, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 15 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 11 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 9 C, 5, is greater than permitted
-47: [12:06:48] Explicit valence for atom # 9 C, 6, is greater than permitted
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 3202580.
-38:   mass! 13.0034
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 3316407.
- 32/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.09 sec
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 7
-test 52
-        Start  52: canonTestsCatch
+66: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
+66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
+66: Test timeout computed to be: 1500
+test 67
+        Start  67: depictorCatch
 
-52: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/canonTestsCatch
-52: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-52: Test timeout computed to be: 1500
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 3
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [12:06:48] Can't kekulize mol.  Unkekulized atoms: 3 7
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 3496759.
-38: smi match: *C *C
-38: smi match: **=* **=*
-38: smi match: [N-]=[N+]=NC=O [N-]=[N+]=NC=O
-38: smi match: *OS(=O)OC *OS(=O)OC
-38: smi match: *S(=O)(=O)OC *S(=O)(=O)OC
-38: smi match: O=COC=O O=COC=O
-38: smi match: OO OO
-38: smi match: O=COc1c(F)c(F)c(F)c(F)c1F O=COc1c(F)c(F)c(F)c(F)c1F
-38: smi match: O=COc1ccc(N(=O)=O)cc1 O=COc1ccc(N(=O)=O)cc1
-38: smi match: nnnOC=O nnnOC=O
-38: smi match: *=C=N *=C=N
-38: smi match: OS(=O)(=O)C(F)(F)F OS(=O)(=O)C(F)(F)F
-38: smi match: SP(S)=S SP(S)=S
-38: smi match: NP(N)(N)=O NP(N)(N)=O
-38: smi match: cN=[N+]=[N-] cN=[N+]=[N-]
-38: smi match: *CC=O *CC=O
-38: smi match: NNC=O NNC=O
-38: smi match: * *
-38: smi match: C=P C=P
-38: smi match: CC(=N)Cl CC(=N)Cl
-38: smi match: N=O N=O
-38: smi match: ** **
-38: smi match: N=C=N N=C=N
-38: smi match: [C-]#[NH+] [C-]#[NH+]
-38: smi match: O=CON(C=O)C=O O=CON(C=O)C=O
-38: smi match: N#CC[OH] N#CC[OH]
-38: smi match: N#CC=O N#CC=O
-38: smi match: N#CS(=O)=O N#CS(=O)=O
-38: smi match: CCOP(=O)(C#N)OCC CCOP(=O)(C#N)OCC
-36: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1
-47: [12:06:48] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-38: smi match: N#CN=N N#CN=N
-38: smi match: N=NCC=O N=NCC=O
-38: smi match: CCCCCCC CCCCCCC
-38: smi match: OCCOCCO OCCOCCO
-38: smi match: SS SS
-38: smi match: [SH] [SH]
-38: smi match: *1CC1 *1CC1
-38: smi match: [OH]ccc([OH])c[OH] [OH]ccc([OH])c[OH]
-38: smi match: [OH]cc([OH])c[OH] [OH]cc([OH])c[OH]
-38: smi match: NC(=S)N=N NC(=S)N=N
-38: smi match: N#CS N#CS
- 33/235 Test  #45: testSGroup .............................   Passed    0.19 sec
-test 53
-        Start  53: moliteratorTestsCatch
+67: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
+67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
+67: Test timeout computed to be: 1500
+test 68
+        Start  68: pyDepictor
 
-53: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/moliteratorTestsCatch
-53: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-53: Test timeout computed to be: 1500
-38: smi match: cC[N+] cC[N+]
-38: smi match: C*C=S C*C=S
-38: smi match: N[CH2]C#N N[CH2]C#N
-38: smi match: O=C1CCO1 O=C1CCO1
-38: smi match: O=P([OH])OP(=O)[OH] O=P([OH])OP(=O)[OH]
-38: smi match: O=C1CCN1 O=C1CCN1
-38: smi match: O=C1C~CC(=O)C~C1 O=C1C~CC(=O)C~C1
-38: smi match: C=CC=CC=CC=C C=CC=CC=CC=C
-38: smi match: C1CCC(OC2CCC3CCCCC3C2)OC1 C1CCC(OC2CCC3CCCCC3C2)OC1
-38: smi match: O=C1NCC2CCCCC21 O=C1NCC2CCCCC21
-38: smi match: O=C1CCCC(=O)N1 O=C1CCCC(=O)N1
-38: smi match: C1CCC(C2CCCO2)OC1 C1CCC(C2CCCO2)OC1
-38: smi match: [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1 [OH]C1Cc2c([OH])cc([OH])cc2OC1c1ccc([OH])c([OH])c1
-38: smi match: C1CC2CCC(O1)O2 C1CC2CCC(O1)O2
-38: smi match: cN(=O)~O cN(=O)~O
-38: smi match: *[CH2]N1C(=O)CCC1=O *[CH2]N1C(=O)CCC1=O
-38: smi match: N~NC=O N~NC=O
-38: smi match: *=N~C *=N~C
-38: smi match: CO*(=O)=O CO*(=O)=O
-38: smi match: * *
-38: smi match: * *
-38: smi match: *C=C *C=C
-38: smi match: N#CS N#CS
-38: smi match: *C=S *C=S
-38: smi match: *N *N
-48: Randomness seeded to: 1965763359
-48: ===============================================================================
-48: All tests passed (62 assertions in 6 test cases)
-48: 
-38: smi match: *C(=C)C=O *C(=C)C=O
-38: smi match: *C#C *C#C
-38: smi match: N#CCO N#CCO
-38: smi match: O=N(=O)CCO O=N(=O)CCO
-38: smi match: N=CS N=CS
-38: smi match: O=CNC(O)C=O O=CNC(O)C=O
-38: smi match: C=C(C=O)C=O C=C(C=O)C=O
-38: smi match: N=CC=O N=CC=O
-38: smi match: *C(C=O)C=O *C(C=O)C=O
-38: smi match: *C(C=O)=C(*)C=O *C(C=O)=C(*)C=O
-38: smi match: O=CC=CC=O O=CC=CC=O
-38: smi match: O=CN(O)C=O O=CN(O)C=O
-38: smi match: O=CN(S)C=O O=CN(S)C=O
-38: smi match: O=CNC=O O=CNC=O
-38: smi match: O=CNN=O O=CNN=O
-38: smi match: O=CNNC=O O=CNNC=O
+68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
+68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap
+68: Test timeout computed to be: 1500
 38: smi match: O=CNOC=O O=CNOC=O
 38: smi match: O=CS O=CS
 38: smi match: O=CSC=S O=CSC=S
- 34/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.18 sec
 38: smi match: S=CS S=CS
 38: smi match: C=O C=O
 38: smi match: *C=N *C=N
-test 54
-        Start  54: queryTestsCatch
-
-54: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/queryTestsCatch
-54: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-54: Test timeout computed to be: 1500
 38: smi match: CCCCCCC CCCCCCC
 38: smi match: CN=O CN=O
 38: smi match: CS(=O)(=O)O CS(=O)(=O)O
@@ -17366,8 +16970,6 @@
 38: smi match: NC(=O)Oc1ccccc1 NC(=O)Oc1ccccc1
 38: smi match: NC=S NC=S
 38: smi match: NC(N)=S NC(N)=S
-51: Randomness seeded to: 722832994
-51: [12:06:48]  unable to set wavy bonds for double bonds: 3
 38: smi match: C=CN C=CN
 38: smi match: NOC=O NOC=O
 38: smi match: C1CN1 C1CN1
@@ -17382,7 +16984,6 @@
 38: smi match: N=C=O N=C=O
 38: smi match: N=C=S N=C=S
 38: smi match: NOC(=O)O NOC(=O)O
- 35/235 Test   #2: pyCoordGen .............................   Passed    0.78 sec
 38: smi match: *C(O)=S *C(O)=S
 38: smi match: C=CO C=CO
 38: smi match: ON=CC=NO ON=CC=NO
@@ -17400,14 +17001,6 @@
 38: smi match: NCN NCN
 38: smi match: cC(c)(O)O cC(c)(O)O
 38: smi match: *C(c)O *C(c)O
-36: [12:06:48] non-ring atom 0 marked aromatic
-36: [12:06:48] non-ring atom 0 marked aromatic
-test 55
-        Start  55: molbundleTestsCatch
-
-55: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molbundleTestsCatch
-55: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-55: Test timeout computed to be: 1500
 38: smi match: C=CS(c)(=O)=O C=CS(c)(=O)=O
 38: smi match: cS(=O)(=O)O cS(=O)(=O)O
 38: smi match: *c1ccccn1=O *c1ccccn1=O
@@ -17429,11 +17022,6 @@
 38: smi match: C=NO C=NO
 38: smi match: C=N[SH]=N C=N[SH]=N
 38: smi match: O=C(S)S O=C(S)S
-32: ......
-32: ----------------------------------------------------------------------
-32: Ran 6 tests in 0.002s
-32: 
-32: OK
 38: smi match: N=C(S)S N=C(S)S
 38: smi match: N=C(=N)S N=C(=N)S
 38: smi match: O=N=O O=N=O
@@ -17454,7 +17042,6 @@
 38: smi match: NC(=O)S NC(=O)S
 38: smi match: N#CS N#CS
 38: smi match: NC(=O)C(N)=O NC(=O)C(N)=O
-47: [12:06:48] Explicit valence for atom # 1 O, 3, is greater than permitted
 38: smi match: c=N c=N
 38: smi match: C1COCO1 C1COCO1
 38: smi match: C=NN[SH](=O)=O C=NN[SH](=O)=O
@@ -17467,10 +17054,6 @@
 38: smi match: OC1CCOC1O OC1CCOC1O
 38: smi match: OC1CCOC(O)C1 OC1CCOC(O)C1
 38: smi match: N=[N+]=N N=[N+]=N
-47: [12:06:48] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [12:06:48] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 38: smi match: N#CN N#CN
 38: smi match: C=NN=C C=NN=C
 38: smi match: *CCN(C)C *CCN(C)C
@@ -17483,9 +17066,6 @@
 38: smi match: *c1-c-c-ccN1 *c1-c-c-ccN1
 38: smi match: *C(*)=C *C(*)=C
 38: smi match: N#[NH+] N#[NH+]
-47: [12:06:48] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
-47: [12:06:48] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
-47: [12:06:48] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
 38: smi match: C#NO C#NO
 38: smi match: OOO OOO
 38: smi match: OO OO
@@ -17499,7 +17079,6 @@
 38: smi match: *C(*)(*)C=C *C(*)(*)C=C
 38: smi match: *C(*)C=C *C(*)C=C
 38: smi match: *CC=C *CC=C
-47: [12:06:48] non-ring atom 0 marked aromatic
 38: smi match: CN=C=O CN=C=O
 38: smi match: CN=C=S CN=C=S
 38: smi match: *C=O *C=O
@@ -17509,8 +17088,6 @@
 38: smi match: CSC(C)=N CSC(C)=N
 38: smi match: COC(C)=N COC(C)=N
 38: smi match: C=C=C C=C=C
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 38: smi match: *C(=O)OC=O *C(=O)OC=O
 38: smi match: C=CC#N C=CC#N
 38: smi match: C=CC=O C=CC=O
@@ -17530,12 +17107,6 @@
 38: smi match: *C(*)(*)C=O *C(*)(*)C=O
 38: smi match: *C(*)C=O *C(*)C=O
 38: smi match: *CC=O *CC=O
-36: [12:06:48] Conflicting single bond directions around double bond at index 17.
-36: [12:06:48]   BondStereo set to STEREONONE and single bond directions set to NONE.
-53: Randomness seeded to: 2045710305
-53: ===============================================================================
-53: All tests passed (14 assertions in 4 test cases)
-53: 
 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
 38: smi match: *C(*)(*)[SH](=O)=O *C(*)(*)[SH](=O)=O
 38: smi match: *C(*)[SH](=O)=O *C(*)[SH](=O)=O
@@ -17564,26 +17135,6 @@
 38: smi match: **C=C **C=C
 38: smi match: C=C[O-] C=C[O-]
 38: smi match: C=CO C=CO
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-51: [12:06:48] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-51: [12:06:48] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
- 36/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.10 sec
-55: Randomness seeded to: 3941391116
-55: ===============================================================================
-55: All tests passed (6 assertions in 1 test case)
-55: 
-test 56
-        Start  56: pickleTestsCatch
-
-56: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/pickleTestsCatch
-56: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-56: Test timeout computed to be: 1500
-25: .....
-25: ----------------------------------------------------------------------
-25: Ran 5 tests in 0.007s
-25: 
-25: OK
-25: Testing Alignment Wrapper code:
 38: smi match: * *
 38: smi match: O=CON1C(=O)CCC1=O O=CON1C(=O)CCC1=O
 38: smi match: O=COn1ccnc1 O=COn1ccnc1
@@ -17605,49 +17156,581 @@
 38: smi match: * *
 38: smi match: * *
 38: smi match: * *
-54: Randomness seeded to: 4014061270
+38: smi match: *N=C(*)* *N=C(*)*
+38: smi match: *C(*)(*)C=O *C(*)(*)C=O
+38: smi match: CSC=O CSC=O
+38: smi match: * *
+38: smi match: O=CCl O=CCl
+38: smi match: *** ***
+38: smi match: *C=O *C=O
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[OH] C[OH]
+38: smi match: C[CH]=O C[CH]=O
+38: smi match: *=* *=*
+38: smi match: *C *C
+38: smi match: C#C C#C
+38: smi match: *[CH]C=C *[CH]C=C
+28:   done
+36: [20:55:07] non-ring atom 0 marked aromatic
+36: [20:55:07] non-ring atom 0 marked aromatic
+36: [20:55:07] Conflicting single bond directions around double bond at index 17.
+36: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
+36: starting sanitization
+36: done
+36: starting sanitization
+36: done
+36: starting ring finding
+36: done
+36: starting ring finding
+36: done
+36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
+49: Randomness seeded to: 843171266
+49: ===============================================================================
+49: All tests passed (136 assertions in 8 test cases)
+49: 
+53: Randomness seeded to: 1979025362
+53: ===============================================================================
+53: All tests passed (14 assertions in 4 test cases)
+53: 
+47: Randomness seeded to: 689015672
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 1 N, 6, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 1 N, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 2 O, 3, is greater than permitted
+47: [20:55:07] non-ring atom 2 marked aromatic
+47: [20:55:07] non-ring atom 2 marked aromatic
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 1 2 3
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+47: [20:55:07] Explicit valence for atom # 1 O, 3, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 4 F, 2, is greater than permitted
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8
+47: [20:55:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [20:55:07] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [20:55:07] WARNING: not removing hydrogen atom with dummy atom neighbors
+47: [20:55:07] WARNING: not removing hydrogen atom with wedged bond
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] Unreasonable formal charge on atom # 0.
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no atom
+47: Violation occurred on line 181 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: at
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36F9A8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no owner
+47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+47: Failed Expression: dp_mol
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FA32 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: atom not associated with this molecule
+47: Violation occurred on line 182 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: &at->getOwningMol() == this
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomDegree(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FAC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no atom
+47: Violation occurred on line 364 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: at
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FBB0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no owner
+47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+47: Failed Expression: dp_mol
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FC41 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: atom not associated with this molecule
+47: Violation occurred on line 365 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: &at->getOwningMol() == this
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomNeighbors(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FCDD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no atom
+47: Violation occurred on line 371 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: at
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA3705F9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: no owner
+47: Violation occurred on line 146 in file ./Code/GraphMol/Atom.h
+47: Failed Expression: dp_mol
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FE48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: atom not associated with this molecule
+47: Violation occurred on line 372 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: &at->getOwningMol() == this
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::getAtomBonds(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA36FEE2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: null atom passed in
+47: Violation occurred on line 386 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: atom_pin
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA3705D1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: cannot take ownership of an atom which already has an owner
+47: Violation occurred on line 387 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: !takeOwnership || !atom_pin->hasOwningMol() || &atom_pin->getOwningMol() == this
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::addAtom(RDKit::Atom*, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA3701F8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: cannot take ownership of an bond which already has an owner
+47: Violation occurred on line 412 in file ./Code/GraphMol/ROMol.cpp
+47: Failed Expression: !takeOwnership || !bond_pin->hasOwningMol() || &bond_pin->getOwningMol() == this
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::ROMol::addBond(RDKit::Bond*, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA3705AD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+47: [20:55:07] Explicit valence for atom # 1 F greater than permitted
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: plain atoms have no Query
+47: Violation occurred on line 691 in file ./Code/GraphMol/Atom.cpp
+47: Failed Expression: 0
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::Atom::setQuery(Queries::Query<int, RDKit::Atom const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA31910B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: plain atoms have no Query
+47: Violation occurred on line 696 in file ./Code/GraphMol/Atom.cpp
+47: Failed Expression: 0
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::Atom::expandQuery(Queries::Query<int, RDKit::Atom const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA3191A0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: plain bonds have no Query
+47: Violation occurred on line 207 in file ./Code/GraphMol/Bond.cpp
+47: Failed Expression: 0
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::Bond::setQuery(Queries::Query<int, RDKit::Bond const*, true>*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA318E30 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] 
+47: 
+47: ****
+47: Pre-condition Violation
+47: plain bonds have no query
+47: Violation occurred on line 228 in file ./Code/GraphMol/Bond.cpp
+47: Failed Expression: 0
+47: ----------
+47: Stacktrace:
+47:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+47:  2# RDKit::Bond::expandQuery(Queries::Query<int, RDKit::Bond const*, true>*, Queries::CompositeQueryType, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+47:  3# 0x00005601CA318EC5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  4# 0x00005601CA3BCCB8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  5# 0x00005601CA3BD7D8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  6# 0x00005601CA3BDC50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  7# 0x00005601CA38F2C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  8# 0x00005601CA38F62C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47:  9# 0x00005601CA30B80E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: 10# 0x00007F711B033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+47: 11# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+47: 12# 0x00005601CA30B851 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/graphmolTestsCatch
+47: ----------
+47: ****
+47: 
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:55:07] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:55:07] Unusual charge on atom 0 number of radical electrons set to zero
+47: [20:55:07] non-ring atom 0 marked aromatic
+47: [20:55:07] non-ring atom 0 marked aromatic
+47: [20:55:07] Explicit valence for atom # 1 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 3 N, 4, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 15 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 11 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 9 C, 5, is greater than permitted
+47: [20:55:07] Explicit valence for atom # 9 C, 6, is greater than permitted
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 7
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 3
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 3 7
+47: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 3 7
+54: Randomness seeded to: 1211680176
 54: ===============================================================================
 54: All tests passed (10 assertions in 1 test case)
 54: 
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: starting ring finding
- 37/235 Test  #54: queryTestsCatch ........................   Passed    0.08 sec
- 38/235 Test  #55: molbundleTestsCatch ....................   Passed    0.06 sec
-test 57
-        Start  57: tableTestsCatch
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf...
+48: Randomness seeded to: 1495308124
+48: ===============================================================================
+48: All tests passed (62 assertions in 6 test cases)
+48: 
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [20:55:07] SMILES Parse Error: syntax error while parsing: -
+60: [20:55:07] SMILES Parse Error: check for mistakes around position 1:
+60: [20:55:07] -
+60: [20:55:07] ^
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
+60: [20:55:07] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
+60: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
+ 27/235 Test  #28: testUFFForceField ......................   Passed    0.28 sec
+ 28/235 Test  #48: graphmolOrganometallicsCatch ...........   Passed    0.19 sec
+ 29/235 Test  #49: graphmolSGroupCatch ....................   Passed    0.18 sec
+ 30/235 Test  #53: moliteratorTestsCatch ..................   Passed    0.17 sec
+ 31/235 Test  #54: queryTestsCatch ........................   Passed    0.16 sec
+ 32/235 Test  #60: smiTest2 ...............................   Passed    0.08 sec
+test 69
+        Start  69: testMrvToMol
 
-57: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/tableTestsCatch
-57: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-57: Test timeout computed to be: 1500
-test 58
-        Start  58: molopsTestsCatch
+69: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse
+69: Test timeout computed to be: 1500
+test 70
+        Start  70: fileParsersTest1
 
-58: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/molopsTestsCatch
-58: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol
-58: Test timeout computed to be: 1500
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-38: smi match: *N=C(*)* *N=C(*)*
-38: smi match: *C(*)(*)C=O *C(*)(*)C=O
-38: smi match: CSC=O CSC=O
-38: smi match: * *
-38: smi match: O=CCl O=CCl
-38: smi match: *** ***
-38: smi match: *C=O *C=O
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[OH] C[OH]
-38: smi match: C[CH]=O C[CH]=O
-38: smi match: *=* *=*
-38: smi match: *C *C
-38: smi match: C#C C#C
-38: smi match: *[CH]C=C *[CH]C=C
+70: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+70: Test timeout computed to be: 1500
+test 71
+        Start  71: testAtropisomers
+
+71: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
+71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+71: Test timeout computed to be: 1500
+test 72
+        Start  72: testSquiggleDoubleBonds
+
+72: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
+72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+72: Test timeout computed to be: 1500
+test 73
+        Start  73: testMolSupplier
+
+73: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+73: Test timeout computed to be: 1500
+test 74
+        Start  74: testGeneralFileReader
+
+74: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
+74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+74: Test timeout computed to be: 1500
 38: smi match: cCC(=O)[OH] cCC(=O)[OH]
 38: smi match: *C(*)(*)C(=O)[OH] *C(*)(*)C(=O)[OH]
 38: smi match: CC(=O)C(=O)[OH] CC(=O)C(=O)[OH]
@@ -17698,40 +17781,8 @@
 38: smi match: C1CO1 C1CO1
 38: smi match: *OC(*)=O *OC(*)=O
 38: smi match: * *
-36: done
-36: C/C=N/c1ccc(cc1)c1cc2cc(c1)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C=Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)/N=C/C)c1ccc(cc1)N=Cc1ccc(cc1)c1cc(c3ccc(C=Nc4ccc(c5cc6c7ccc(N=Cc8ccc(c9cc(c%10ccc(C=Nc%11ccc2cc%11)cc%10)cc(c9)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)N=Cc2ccc(cc2)c2cc(cc(c2)c2ccc(cc2)C)c2ccc(cc2)C=Nc2ccc(cc2)c2cc(c9ccc(N=Cc%10ccc(c%11cc(c%12ccc(C=Nc%13ccc(c(c6)c5)cc%13)cc%12)cc(c%11)c5ccc(cc5)C)cc%10)cc9)cc(c2)c2ccc(cc2)/N=C/C)c2ccc(cc2)/N=C/C)cc8)cc7)cc4)cc3)cc(c1)c1ccc(cc1)C
-36: starting sanitization
-36: done
-36: starting sanitization
-50: Randomness seeded to: 694940366
-50: ===============================================================================
-50: All tests passed (283 assertions in 11 test cases)
-50: 
-51: [12:06:48] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-51: [12:06:48] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
-51: [12:06:48] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
- 39/235 Test  #32: pyDistGeom .............................   Passed    0.61 sec
- 40/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.28 sec
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 38: smi match: *O*[OH] *O*[OH]
 38: smi match: COC(C)(C)O COC(C)(C)O
-test 59
-        Start  59: smiTest1
-
-59: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest1
-59: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-59: Test timeout computed to be: 1500
-test 60
-        Start  60: smiTest2
-
-60: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTest2
-60: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-60: Test timeout computed to be: 1500
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [12:06:48] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-47: [12:06:48] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 38: smi match: *[OH] *[OH]
 38: smi match: ** **
 38: smi match: C=N[NH2] C=N[NH2]
@@ -17739,6 +17790,79 @@
 38: smi match: * *
 38: smi match: C#NC C#NC
 38: smi match: CN=C=O CN=C=O
+55: Randomness seeded to: 1436388345
+55: ===============================================================================
+55: All tests passed (6 assertions in 1 test case)
+55: 
+ 33/235 Test  #55: molbundleTestsCatch ....................   Passed    0.18 sec
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] WARNING: not removing hydrogen atom without neighbors
+59: [20:55:07] Invalid chiral specification on atom 0
+59: [20:55:07] Invalid chiral specification on atom 0
+59: [20:55:07] Invalid chiral specification on atom 0
+59: [20:55:07] Invalid chiral specification on atom 0
+59: [20:55:07] Invalid chiral specification on atom 0
+59: [20:55:07] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
+59: [20:55:07] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
+57: Randomness seeded to: 2114120593
+57: ===============================================================================
+57: All tests passed (7 assertions in 2 test cases)
+57: 
+ 34/235 Test  #57: tableTestsCatch ........................   Passed    0.15 sec
+51: Randomness seeded to: 2145335164
+51: [20:55:07]  unable to set wavy bonds for double bonds: 3
+51: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+51: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+ 35/235 Test  #45: testSGroup .............................   Passed    0.22 sec
+58: Randomness seeded to: 234345684
+58: ===============================================================================
+58: All tests passed (79 assertions in 6 test cases)
+58: 
+ 36/235 Test  #58: molopsTestsCatch .......................   Passed    0.12 sec
+56: Randomness seeded to: 2305084983
+56: ===============================================================================
+56: All tests passed (45 assertions in 4 test cases)
+56: 
+ 37/235 Test  #56: pickleTestsCatch .......................   Passed    0.15 sec
+test 75
+        Start  75: testMultithreadedMolSupplier
+
+75: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
+75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+75: Test timeout computed to be: 1500
+test 76
+        Start  76: testMolWriter
+
+76: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
+76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+76: Test timeout computed to be: 1500
+test 77
+        Start  77: testTplParser
+
+77: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
+77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+77: Test timeout computed to be: 1500
+test 78
+        Start  78: testMol2ToMol
+
+78: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
+78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+78: Test timeout computed to be: 1500
+test 79
+        Start  79: testSequence
+
+79: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
+79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+79: Test timeout computed to be: 1500
 38: smi match: CN=C=S CN=C=S
 38: smi match: *OC(*)(*)O* *OC(*)(*)O*
 38: smi match: *C(*)=O *C(*)=O
@@ -17772,27 +17896,7 @@
 38: smi match: *S(C)(~O)~O *S(C)(~O)~O
 38: smi match: CN(C)C CN(C)C
 38: smi match: *c1nnc(=N)s1 *c1nnc(=N)s1
-36: done
-36: starting ring finding
-36: done
-36: starting ring finding
-36: done
-36: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1
-57: Randomness seeded to: 383398976
-57: ===============================================================================
-57: All tests passed (7 assertions in 2 test cases)
-57: 
-51: ===============================================================================
-51: All tests passed (2267 assertions in 79 test cases)
-51: 
- 41/235 Test  #57: tableTestsCatch ........................   Passed    0.09 sec
 38: smi match: *C(*)=S *C(*)=S
-test 61
-        Start  61: cxsmilesTest
-
-61: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/cxsmilesTest
-61: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-61: Test timeout computed to be: 1500
 38: smi match: *OC(*)=S *OC(*)=S
 38: smi match: * *
 38: smi match: C[SH] C[SH]
@@ -17801,1017 +17905,191 @@
 38: smi match: * *
 38: smi match: ***** *****
 38: smi match: NC(N)=O NC(N)=O
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 280.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing sf.net issue 285.
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Github2441: Add RDProps interface to Conformers.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Issue2510: Pickle Confs as double.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing loading pickled mols with conformers
-56: Randomness seeded to: 19635138
-56: ===============================================================================
-56: All tests passed (45 assertions in 4 test cases)
-56: 
- 42/235 Test  #51: chiralityTestsCatch ....................   Passed    0.31 sec
-test 62
-        Start  62: smaTest1
-
-62: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smaTest1
-62: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-62: Test timeout computed to be: 1500
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing conformer reading/writing options
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing property reading options
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing property reading options
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing boost::serialization integration
-38: [12:06:48] 	done
-38: [12:06:48] -------------------------------------
-38: [12:06:48] Testing github issue 6036
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES 'CO' for input: 'CO'
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [12:06:48] SMILES Parse Error: syntax error while parsing: -
-60: [12:06:48] SMILES Parse Error: check for mistakes around position 1:
-60: [12:06:48] -
-60: [12:06:48] ^
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES '-' for input: '-'
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES '[Bg]' for input: '[Bg]'
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES 'C' for input: 'C'
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES 'C-O' for input: 'C-O'
-60: [12:06:48] SMILES Parse Error: Failed parsing SMILES '*' for input: '*'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS 'CO' for input: 'CO'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS 'C-O' for input: 'C-O'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS '-' for input: '-'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS '[Bg]' for input: '[Bg]'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS 'C' for input: 'C'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS '-O' for input: '-O'
-60: [12:06:48] SMARTS Parse Error: Failed parsing SMARTS '*' for input: '*'
- 43/235 Test  #25: pyAlignment ............................   Passed    0.76 sec
- 44/235 Test  #38: graphmoltestPickler ....................   Passed    0.60 sec
- 45/235 Test  #56: pickleTestsCatch .......................   Passed    0.14 sec
- 46/235 Test  #60: smiTest2 ...............................   Passed    0.05 sec
-test 63
-        Start  63: smiTestCatch
-
-63: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-63: Test timeout computed to be: 1500
-test 64
-        Start  64: nontetrahedralCatch
-
-64: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/nontetrahedralCatch
-64: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-64: Test timeout computed to be: 1500
-test 65
-        Start  65: v2smiTestCatch
-
-65: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/v2smiTestCatch
-65: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse
-65: Test timeout computed to be: 1500
-test 66
-        Start  66: testDepictor
-
-66: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/testDepictor
-66: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
-66: Test timeout computed to be: 1500
-36: [12:06:48] WARNING: not removing hydrogen atom with dummy atom neighbors
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 280.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing sf.net issue 285.
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Github2441: Add RDProps interface to Conformers.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Issue2510: Pickle Confs as double.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing Github #2465: Negative atom-map numbers cause depickling to fail.
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing loading pickled mols with conformers
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing conformer reading/writing options
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing property reading options
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing property reading options
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing boost::serialization integration
+38: [20:55:07] 	done
+38: [20:55:07] -------------------------------------
+38: [20:55:07] Testing github issue 6036
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+47: [20:55:07] Explicit valence for atom # 1 O, 3, is greater than permitted
+47: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+47: [20:55:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:55:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:55:07] Invalid value for molAttachPoint: 4 on atom 1. Not expanding this atttachment point.
+47: [20:55:07] Invalid value for _fromAttachPoint: -1 on atom 0. Not collapsing this atom
+47: [20:55:07] Invalid value for _fromAttachPoint: 4 on atom 0. Not collapsing this atom
+47: [20:55:07] non-ring atom 0 marked aromatic
+47: [20:55:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:55:07] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+64: Randomness seeded to: 2810916635
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
+64: [20:55:07] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
+64: ===============================================================================
+64: All tests passed (308 assertions in 9 test cases)
+64: 
+51: [20:55:07] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [20:55:07] Warning: ambiguous stereochemistry - zero-length (or near zero-length) bond - at atom 1 ignored.
+51: [20:55:07] Warning: ambiguous stereochemistry - overlapping neighbors  - at atom 2 ignored
+51: ===============================================================================
+51: All tests passed (2267 assertions in 79 test cases)
+51: 
+36: [20:55:07] WARNING: not removing hydrogen atom with dummy atom neighbors
 36: -------------------------------
-36: [12:06:48] Explicit valence for atom # 0 N, 4, is greater than permitted
-36: [12:06:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [12:06:49] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-36: [12:06:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-36: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:55:07] Explicit valence for atom # 0 N, 4, is greater than permitted
+36: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+36: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+36: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+36: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
 36: 
-58: Randomness seeded to: 3423734483
-58: ===============================================================================
-58: All tests passed (79 assertions in 6 test cases)
-58: 
- 47/235 Test  #58: molopsTestsCatch .......................   Passed    0.16 sec
-test 67
-        Start  67: depictorCatch
-
-67: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/depictorCatch
-67: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor
-67: Test timeout computed to be: 1500
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-65: Randomness seeded to: 1823549332
+50: Randomness seeded to: 3809566524
+50: ===============================================================================
+50: All tests passed (283 assertions in 11 test cases)
+50: 
+37: [20:55:07] Conflicting single bond directions around double bond at index 2.
+37: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:55:07] Conflicting single bond directions around double bond at index 4.
+37: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:55:07] Conflicting single bond directions around double bond at index 15.
+37: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:55:07] Conflicting single bond directions around double bond at index 2.
+37: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+37: [20:55:07] Conflicting single bond directions around double bond at index 1.
+37: [20:55:07]   BondStereo set to STEREONONE and single bond directions set to NONE.
+71: [20:55:07]  ---- Running with POSIX locale ----- 
+62: [20:55:07] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
+62: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
+62: [20:55:07] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
+62: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
+62: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+62: [20:55:07] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
+65: Randomness seeded to: 450182856
 65: ===============================================================================
 65: All tests passed (14 assertions in 2 test cases)
 65: 
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
- 48/235 Test  #65: v2smiTestCatch .........................   Passed    0.05 sec
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-test 68
-        Start  68: pyDepictor
-
-68: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Depictor/Wrap/testDepictor.py"
-68: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Depictor/Wrap
-68: Test timeout computed to be: 1500
-59: [12:06:49] WARNING: not removing hydrogen atom without neighbors
-59: [12:06:49] Invalid chiral specification on atom 0
-59: [12:06:49] Invalid chiral specification on atom 0
-59: [12:06:49] Invalid chiral specification on atom 0
-59: [12:06:49] Invalid chiral specification on atom 0
-59: [12:06:49] Invalid chiral specification on atom 0
-36: [12:06:49] WARNING: not removing hydrogen atom with dummy atom neighbors
-63: Randomness seeded to: 1045532680
-63: [12:06:49] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-63: [12:06:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-63: [12:06:49] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
-64: Randomness seeded to: 2020207509
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-63: [12:06:49] SMARTS Parse Error: unclosed ring for input: 'C1C'
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-63: [12:06:49] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-59: [12:06:49] SMILES Parse Error: unclosed ring for input: 'C1.C11.C'
-59: [12:06:49] SMILES Parse Error: unclosed ring for input: 'C1C.CC11CCC'
-63: [12:06:49] SMARTS Parse Error: syntax error while parsing: C)foo
-63: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
-63: [12:06:49] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
-63: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-63: [12:06:49] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
-47: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-47: [12:06:49] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 Al, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Si, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 P, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 P, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 As, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 As, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 Sb, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 0 Sb, 7, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Bi, 6, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: [12:06:49] Explicit valence for atom # 1 Bi, 8, is greater than permitted
-47: ===============================================================================
-47: All tests passed (4464 assertions in 106 test cases)
-47: 
- 49/235 Test  #47: graphmolTestsCatch .....................   Passed    0.57 sec
-test 69
-        Start  69: testMrvToMol
-
-69: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse
-69: Test timeout computed to be: 1500
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-64: [12:06:49] WARNING: not removing hydrogen atom with neighbor that has non-tetrahedral stereochemistry
-21: ....................
-21: ----------------------------------------------------------------------
-21: Ran 20 tests in 0.251s
-21: 
-21: OK
-21: Testing Geometry wrapper
-64: [12:06:49] ignoring non-tetrahedral stereo specification since setAllowNontetrahedralChirality() is false.
-64: ===============================================================================
-64: All tests passed (308 assertions in 9 test cases)
-64: 
- 50/235 Test  #64: nontetrahedralCatch ....................   Passed    0.20 sec
-test 70
-        Start  70: fileParsersTest1
-
-70: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-70: Test timeout computed to be: 1500
-28:   done
- 51/235 Test  #28: testUFFForceField ......................   Passed    0.98 sec
-test 71
-        Start  71: testAtropisomers
-
-71: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testAtropisomers
-71: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-71: Test timeout computed to be: 1500
-71: [12:06:49]  ---- Running with POSIX locale ----- 
- 52/235 Test  #21: testPyGeometry .........................   Passed    1.14 sec
-test 72
-        Start  72: testSquiggleDoubleBonds
-
-72: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSquiggleDoubleBonds
-72: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-72: Test timeout computed to be: 1500
-63: [12:06:49] w block attempts to set wedging on bond 0 more than once.
-63: [12:06:49] improperly formatted w block
-69: Using new chirality perception
-69: Test
-69: 
-69:  rxnStereoMarkedCrossed.mrv
-69: 
-69: Test
-69: 
-69:  145323811.mol
-69: 
-69: [12:06:49] unsupported number of radical electrons 5
-63: [12:06:49] atom 3 is not associated with bond 1(1-2) in w block
-62: [12:06:49] SMARTS Parse Error: syntax error while parsing: [C:10H3]CC
-62: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS '[C:10H3]CC' for input: '[C:10H3]CC'
-62: [12:06:49] SMARTS Parse Error: syntax error while parsing: [C:10:3]ON
-62: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS '[C:10:3]ON' for input: '[C:10:3]ON'
-62: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-62: [12:06:49] WARNING: merging explicit H queries involved in ORs is not supported. This query will not be merged
-61: Randomness seeded to: 2625091760
-61: Test
-61: 
-61:  ShortAtropisomerNoCoords.cxsmi
-61: 
-61: Test
-61: 
-61:  ShortAtropisomer.cxsmi
-61: 
-61: Test
-61: 
-61:  ShortAtropisomerArom.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChirals.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced2.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced3.cxsmi
-61: 
-61: Test
-61: 
-61:  AtropManyChiralsEnhanced4.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d_chiral.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atrop5.cxsmi
-61: 
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
- 53/235 Test  #62: smaTest1 ...............................   Passed    0.41 sec
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-test 73
-        Start  73: testMolSupplier
-
-73: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-73: Test timeout computed to be: 1500
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-67: Randomness seeded to: 2689369995
-67: ===============================================================================
-67: All tests passed (580 assertions in 18 test cases)
-67: 
-63: [12:06:49] 
-63: 
-63: ****
-63: Range Error
-63: idx
-63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-63: Failed Expression: 20 < 20
-63: ----------
-63: Stacktrace:
-63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x000055D945C9241D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x000055D945CE36E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x000055D945CE4208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x000055D945CE4680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x000055D945CB5CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x000055D945CB602C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x000055D945C47CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x00007F3384A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-63: 16# 0x000055D945C47D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: ----------
-63: ****
-63: 
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [12:06:49] 
-73: -----------------------------------------
- 54/235 Test  #67: depictorCatch ..........................   Passed    0.37 sec
-70: ***************************************
-70: ***************************************
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-test 74
-        Start  74: testGeneralFileReader
-
-74: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testGeneralFileReader
-74: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-74: Test timeout computed to be: 1500
-70: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: Test
-61: 
-61:  BMS-986142_atrop6.cxsmi
-61: 
-61: Test
-61: 
-61:  BMS-986142_atropBad1.cxsmi
-61: 
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-72: Randomness seeded to: 3964344375
-72: ===============================================================================
-72: All tests passed (15 assertions in 3 test cases)
-72: 
-59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
- 55/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.12 sec
-test 75
-        Start  75: testMultithreadedMolSupplier
-
-75: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMultithreadedMolSupplier
-75: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-75: Test timeout computed to be: 1500
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-63: [12:06:49] 
-63: 
-63: ****
-63: Range Error
-63: idx
-63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-63: Failed Expression: 20 < 20
-63: ----------
-63: Stacktrace:
-63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-63:  7# 0x000055D945C9241D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  8# 0x000055D945CE36E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63:  9# 0x000055D945CE4208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 10# 0x000055D945CE4680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 11# 0x000055D945CB5CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 12# 0x000055D945CB602C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 13# 0x000055D945C47CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: 14# 0x00007F3384A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-63: 16# 0x000055D945C47D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
-63: ----------
-63: ****
-63: 
-63: [12:06:49] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [12:06:49] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
-63: [12:06:49] SMARTS Parse Error: syntax error while parsing: C1C)foo
-63: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
-63: [12:06:49] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
-63: [12:06:49] SMILES Parse Error: check for mistakes around position 4:
-63: [12:06:49] C1C)foo
-63: [12:06:49] ~~~^
-63: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
-61: Test
-61: 
-61:  BMS-986142_atropBad2.cxsmi
-61: 
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-63: ===============================================================================
-63: All tests passed (1584 assertions in 68 test cases)
-63: 
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
-75: [12:06:49] 
-75: -----------------------------------------
- 56/235 Test  #63: smiTestCatch ...........................   Passed    0.49 sec
-test 76
-        Start  76: testMolWriter
-
-76: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolWriter
-76: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-76: Test timeout computed to be: 1500
-73: [12:06:49] 
-73: 
-73: ****
-73: Invariant Violation
-73: bad prop value
-73: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-73: Failed Expression: nSwaps < 2
-73: ----------
-73: Stacktrace:
-73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x00007FF1481947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x000056378E51E134 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x000056378E4F3A90 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x000056378E4F6DBB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  7# 0x00007FF147630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-73:  8# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-73:  9# 0x000056378E4F8981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: ----------
-73: ****
-73: 
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1
-59: smi: ClC1CCCCC1Br
-59: smi: c1ccccc1
-59: smi: c1ccncc1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[nH]c1
-59: smi: c1cc[pH]c1
-59: [12:06:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-59: [12:06:49] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-74: [12:06:49] 
-74: -----------------------------------------
-74: [12:06:49] Finished: testDetermineFormat()
-74: [12:06:49] -----------------------------------------
-74: 
-74: [12:06:49] 
-74: -----------------------------------------
-59: CbC(aC)aC
-59: CaC(bC)aC
-59: CbC(bC)aC
-59: O.C
-59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
-59: [12:06:49] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 4:
-59: [12:06:49] c%()ccccc%()
-59: [12:06:49] ~~~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
-59: [12:06:49] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 9:
-59: [12:06:49] c%(100000)ccccc%(100000)
-59: [12:06:49] ~~~~~~~~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
-59: [12:06:49] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
-69: Test
-69: 
-69:  NewChiralTest.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTest.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.sdf
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.sdf
-69: 
-69: Test
-69: 
-69:  vendor839.sdf
-69: 
-69: Test
-69: 
-69:  ProblemShort.mol
-69: 
-69: [12:06:49] For a MultipleSgroup expansion, the matching orphaned bond was not found
-69: The multiple sgroup will be ignored
-59: [12:06:49] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
-41: [12:06:49] sorting (hanoi sort) vectors
-59: [12:06:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 14:
-59: [12:06:49] COc(c1)cccc1C#
-59: [12:06:49] ~~~~~~~~~~~~~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [12:06:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [12:06:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 14:
-59: [12:06:49] COc(c1)cccc1C#
-59: [12:06:49] ~~~~~~~~~~~~~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [12:06:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [12:06:49] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 14:
-59: [12:06:49] COc(c1)cccc1C#
-59: [12:06:49] ~~~~~~~~~~~~~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: [12:06:49] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
-59: [12:06:49] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
-59: C=c1s/c2n(c1=O)CCCCCCC\N=2
-59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
-59: [12:06:49] SMILES Parse Error: extra close parentheses while parsing: C)
-59: [12:06:49] SMILES Parse Error: check for mistakes around position 2:
-59: [12:06:49] C)
-59: [12:06:49] ~^
-59: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
-30: ...[12:06:49] Molecule does not have explicit Hs. Consider calling AddHs()
- 57/235 Test  #59: smiTest1 ...............................   Passed    0.63 sec
-test 77
-        Start  77: testTplParser
-
-77: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testTplParser
-77: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-77: Test timeout computed to be: 1500
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-74: [12:06:49] Finished: testSdf()
-74: [12:06:49] -----------------------------------------
-74: 
-74: [12:06:49] 
-74: -----------------------------------------
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
- 58/235 Test  #77: testTplParser ..........................   Passed    0.06 sec
-test 78
-        Start  78: testMol2ToMol
-
-78: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMol2ToMol
-78: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-78: Test timeout computed to be: 1500
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-74: [12:06:49] Finished: testSmi()
-74: [12:06:49] -----------------------------------------
-74: 
-74: [12:06:49] 
+63: Randomness seeded to: 130698535
+63: [20:55:07] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+63: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [20:55:07] SMARTS Parse Error: unclosed ring for input: 'c1ccccc'
+63: [20:55:07] SMARTS Parse Error: unclosed ring for input: 'C1C'
+63: [20:55:07] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+63: [20:55:07] SMARTS Parse Error: syntax error while parsing: C)foo
+63: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS 'C)foo' for input: 'C)foo'
+74: [20:55:07] 
 74: -----------------------------------------
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-70: [12:06:49] bond with order 0 found on line 7. This is not part of the MDL specification.
-73: [12:06:49] Finished: testMolSup()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testRandMolSup()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: Test
-61: 
-61:  JDQ443_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  JDQ443_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  JDQ443_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  JDQ443_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  JDQ443_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  JDQ443_atropBad1.cxsmi
-61: 
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
-70: [12:06:49] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [12:06:49] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [12:06:49] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-73: [12:06:49] Finished: testSmilesSup()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ------------------------------------------------------
-73: [12:06:49] SMILES Parse Error: syntax error while parsing: fail
-73: [12:06:49] SMILES Parse Error: check for mistakes around position 1:
-73: [12:06:49] fail
-73: [12:06:49] ^
-73: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-73: [12:06:49] ERROR: Smiles parse error on line 3
-73: [12:06:49] ERROR: Cannot create molecule from : 'fail'
-73: [12:06:49] ------------------------------------------------------
-73: [12:06:49] ------------------------------------------------------
-73: [12:06:49] >>> This may result in an infinite loop.  It should finish almost immediately:
-73: [12:06:49] <<< done.
-73: [12:06:49] Finished: testSmilesSupFromText()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-70: generating smiles
-70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-70: converting back
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-73: [12:06:49] Finished: testSmilesWriter()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-70: check isomorphism
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-73: [12:06:49] Finished: testSDWriter()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testSDSupplierEnding()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testSuppliersEmptyFile()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testCisTrans()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testStereoRound()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-73: [12:06:49] Finished: testIssue226()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testTDTSupplier1()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testTDTSupplier2()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testTDTSupplier3()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testSDSupplierFromText()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Spurious data before the first property will be ignored
-73: [12:06:49] Property <ID> will be truncated after the first blank line
-73: [12:06:49] Property <ID> will be truncated after the first blank line
-73: [12:06:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [12:06:49] Finished: testSDSupplierStrLax1()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [12:06:49] Finished: testSDSupplierStrLax2()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Spurious data before the first property will be ignored
-73: [12:06:49] Property <ID> will be truncated after the first blank line
-73: [12:06:49] Property <ID> will be truncated after the first blank line
-73: [12:06:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [12:06:49] Finished: testSDSupplierFromTextStrLax1()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: Problems encountered parsing data fields
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-73: [12:06:49] Finished: testSDSupplierFromTextStrLax2()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testIssue265()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: End of data field name not found
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule ending on line 16
-73: [12:06:49] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] ERROR: Bond line too short: 'M  END' on line 18
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Finished: testSDErrorHandling()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testIssue381()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testSetStreamIndices()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testMixIterAndRandom()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: build:
-73: [12:06:49] Finished: testRemoveHs()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-73: [12:06:49] Finished: testGetItemText()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-61: Test
-61: 
-61:  RP-6306_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  RP-6306_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  RP-6306_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  RP-6306_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  RP-6306_atrop5.cxsmi
-61: 
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
- 59/235 Test  #78: testMol2ToMol ..........................   Passed    0.24 sec
-test 79
-        Start  79: testSequence
-
-79: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testSequence
-79: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-79: Test timeout computed to be: 1500
-73: [12:06:49] Finished: testForwardSDSupplier()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testMissingCRSDSupplier()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testIssue3482695()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] ERROR: Cannot convert 'foo' to unsigned int on line 557
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Finished: testIssue3525673()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-74: [12:06:49] Finished: testMae()
-74: [12:06:49] -----------------------------------------
+74: [20:55:07] Finished: testDetermineFormat()
+74: [20:55:07] -----------------------------------------
 74: 
-74: [12:06:49] 
+74: [20:55:07] 
 74: -----------------------------------------
-74: [12:06:49] Finished: testTdt()
-74: [12:06:49] -----------------------------------------
-74: 
-73: [12:06:49] Finished: testBlankLinesInProps()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testSkipLines()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testGitHub23()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testGitHub88()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-30: ......[12:06:49] Molecule does not have explicit Hs. Consider calling AddHs()
- 60/235 Test  #74: testGeneralFileReader ..................   Passed    0.47 sec
+73: [20:55:07] 
+73: -----------------------------------------
+ 38/235 Test  #38: graphmoltestPickler ....................   Passed    0.32 sec
+ 39/235 Test  #50: graphmolAdjustQueryCatch ...............   Passed    0.24 sec
+ 40/235 Test  #51: chiralityTestsCatch ....................   Passed    0.24 sec
+ 41/235 Test  #62: smaTest1 ...............................   Passed    0.13 sec
+ 42/235 Test  #64: nontetrahedralCatch ....................   Passed    0.11 sec
+ 43/235 Test  #65: v2smiTestCatch .........................   Passed    0.09 sec
+63: [20:55:07] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$|
+63: [20:55:07] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$|' for input: 'CCC |$foo;;bar$|'
 test 80
         Start  80: testExtendedStereoParsing
 
 80: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testExtendedStereoParsing
 80: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 80: Test timeout computed to be: 1500
-73: [12:06:49] Finished: testGitHub2285()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-73: [12:06:49] ERROR: Smiles parse error on line 1
-73: [12:06:49] ERROR: Cannot create molecule from : 'c1ccccc'
-73: [12:06:49] SMILES Parse Error: extra open parentheses while parsing: C(C
-73: [12:06:49] SMILES Parse Error: check for mistakes around position 2:
-73: [12:06:49] C(C
-73: [12:06:49] ~^
-73: [12:06:49] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-73: [12:06:49] ERROR: Smiles parse error on line 3
-73: [12:06:49] ERROR: Cannot create molecule from : 'C(C'
-73: [12:06:49] Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule on line 5
-73: [12:06:49] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-73: [12:06:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule ending on line 21
-73: [12:06:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule ending on line 21
-73: [12:06:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule ending on line 21
-73: [12:06:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Atom line too short: '   -9.6' on line 28
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Could not sanitize molecule ending on line 21
-73: [12:06:49] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-73: [12:06:49] ERROR: Atom line too short: '   -9.6' on line 28
-73: [12:06:49] ERROR: moving to the beginning of the next molecule
-73: [12:06:49] Finished: testGitHub2479()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] 
-73: 
-73: ****
-73: Invariant Violation
-73: bad chiral bond
-73: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
-73: Failed Expression: bnd
-73: ----------
-73: Stacktrace:
-73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-73:  2# 0x00007FF148194DAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-73:  4# 0x000056378E4F97CE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  5# 0x000056378E4F870B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73:  6# 0x00007FF147630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-73:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-73:  8# 0x000056378E4F8981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
-73: ----------
-73: ****
-73: 
-73: [12:06:49] Finished: testGitHub2881()
-73: [12:06:49] -----------------------------------------
-73: 
-73: [12:06:49] -----------------------------------------
-73: [12:06:49] Finished: testGitHub3517()
-73: [12:06:49] -----------------------------------------
-73: 
- 61/235 Test  #73: testMolSupplier ........................   Passed    0.54 sec
-61: Test
-61: 
-61:  RP-6306_atrop6.cxsmi
-61: 
-61: Test
-61: 
-61:  RP-6306_atropBad1.cxsmi
-61: 
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
 test 81
         Start  81: fileParsersCatchTest
 
 81: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
 81: Test timeout computed to be: 1500
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
-61: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+test 82
+        Start  82: testPropertyLists
+
+82: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
+82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+82: Test timeout computed to be: 1500
+test 83
+        Start  83: XYZFileParserCatchTest
+
+83: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
+83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+83: Test timeout computed to be: 1500
+test 84
+        Start  84: cdxmlParserCatchTest
+
+84: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
+84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+84: Test timeout computed to be: 1500
+test 85
+        Start  85: molfileStereoCatchTest
+
+85: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
+85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+85: Test timeout computed to be: 1500
+63: [20:55:07] unrecognized CXSMILES CONNECT value: 'EU'. Assuming 'eu'
+75: [20:55:07] 
+75: -----------------------------------------
+74: [20:55:07] Finished: testSdf()
+74: [20:55:07] -----------------------------------------
+74: 
+74: [20:55:07] 
+74: -----------------------------------------
+74: [20:55:07] Finished: testSmi()
+74: [20:55:07] -----------------------------------------
+74: 
+74: [20:55:07] 
+74: -----------------------------------------
+36: [20:55:07] WARNING: not removing hydrogen atom with dummy atom neighbors
+41: [20:55:07] sorting (hanoi sort) vectors
+59: --C1CCC2(CC1)CCCCC2CCC1CCCC1
 79:   Sequence: GREG
 79:   HELM: PEPTIDE1{G.R.E.G}$$$$
 79:   Smiles: N=C(N)NCCC[C@H](NC(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O
@@ -19442,16 +18720,6 @@
 79: ATOM     19  O   GLU A   3       0.000   0.000   0.000  1.00  0.00           O  
 79: ATOM     20  CB  GLU A   3       0.000   0.000   0.000  1.00  0.00           C  
 79: ATOM     21  CG  GLU A   3       0.000   0.000   0.000  1.00  0.00           C  
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-61: Test
-61: 
-61:  RP-6306_atropBad2.cxsmi
-61: 
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 79: ATOM     22  CD  GLU A   3       0.000   0.000   0.000  1.00  0.00           C  
 79: ATOM     23  OE1 GLU A   3       0.000   0.000   0.000  1.00  0.00           O  
 79: ATOM     24  OE2 GLU A   3       0.000   0.000   0.000  1.00  0.00           O  
@@ -19607,9 +18875,6 @@
 79: 
 79:   Sequence: LfPVXLfPVX
 79:   HELM: PEPTIDE1{L.[dF].P.V.[Orn].L.[dF].P.V.[Orn]}$PEPTIDE1,PEPTIDE1,10:R2-1:R1$$$
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
- 62/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.08 sec
-71: [12:06:49] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 79:   Smiles: CC(C)C[C@@H]1NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
 79:   PDB:
 79: ATOM      1  N   LEU A   1       0.000   0.000   0.000  1.00  0.00           N  
@@ -19662,14 +18927,6 @@
 79: ATOM     48  CD1 LEU A   6       0.000   0.000   0.000  1.00  0.00           C  
 79: ATOM     49  CD2 LEU A   6       0.000   0.000   0.000  1.00  0.00           C  
 79: HETATM   50  N   DPN A   7       0.000   0.000   0.000  1.00  0.00           N  
-test 82
-        Start  82: testPropertyLists
-
-82: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testPropertyLists
-82: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-82: Test timeout computed to be: 1500
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
 79: HETATM   51  CA  DPN A   7       0.000   0.000   0.000  1.00  0.00           C  
 79: HETATM   52  C   DPN A   7       0.000   0.000   0.000  1.00  0.00           C  
 79: HETATM   53  O   DPN A   7       0.000   0.000   0.000  1.00  0.00           O  
@@ -19817,44 +19074,414 @@
 79: CONECT   27   28   28   29
 79: END
 79: 
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
- 63/235 Test  #79: testSequence ...........................   Passed    0.13 sec
-test 83
-        Start  83: XYZFileParserCatchTest
+37: --------------------------------------------------
+ 44/235 Test  #77: testTplParser ..........................   Passed    0.06 sec
+ 45/235 Test  #79: testSequence ...........................   Passed    0.04 sec
+ 46/235 Test  #80: testExtendedStereoParsing ..............   Passed    0.04 sec
+ 47/235 Test  #37: graphmoltestChirality ..................   Passed    0.36 sec
+47: [20:55:07] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 86
+        Start  86: connectTheDotsTest
 
-83: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/XYZFileParserCatchTest
-83: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-83: Test timeout computed to be: 1500
-61: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
-71: [12:06:49] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [12:06:49] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-71: [12:06:49] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-66: [12:06:50] Warning: stereochemistry around double bond may be incorrect in depiction.
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: Randomness seeded to: 1394345694
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [12:06:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
-81: [12:06:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
-81: [12:06:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
-81: [12:06:50] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
-81: [12:06:50] Could not infer missing lvIdx on malformed SAP line for SGroup 1
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup 3 referenced on line 40 not found.
-81: [12:06:50] 
+86: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
+86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+86: Test timeout computed to be: 1500
+test 87
+        Start  87: v2MolSuppliers
+
+87: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
+87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+87: Test timeout computed to be: 1500
+test 88
+        Start  88: v2FileParsersCatchTest
+
+88: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
+88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+88: Test timeout computed to be: 1500
+47: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 89
+        Start  89: multithreadedSupplierCatchTest
+
+89: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
+89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
+89: Test timeout computed to be: 1500
+73: [20:55:08] 
+73: 
+73: ****
+73: Invariant Violation
+73: bad prop value
+73: Violation occurred on line 155 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+73: Failed Expression: nSwaps < 2
+73: ----------
+73: Stacktrace:
+73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  2# 0x00007FDDC93947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  4# 0x00005603F20BC134 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x00005603F2091A90 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x00005603F2094DBB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  7# 0x00007FDDC8833CA8 in /lib/x86_64-linux-gnu/libc.so.6
+73:  8# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+73:  9# 0x00005603F2096981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: ----------
+73: ****
+73: 
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1
+59: smi: ClC1CCCCC1Br
+59: smi: c1ccccc1
+59: smi: c1ccncc1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[nH]c1
+59: smi: c1cc[pH]c1
+59: [20:55:08] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+59: [20:55:08] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+59: CbC(aC)aC
+59: CaC(bC)aC
+59: CbC(bC)aC
+59: O.C
+59: C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O C=C1CC[C@@H]2O[C@@]2(C)CC[C@@](N)(C(C)C)C=C[C@](C)(O)CC[C@@H]1O
+59: [20:55:08] SMILES Parse Error: syntax error while parsing: c%()ccccc%()
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 4:
+59: [20:55:08] c%()ccccc%()
+59: [20:55:08] ~~~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'c%()ccccc%()' for input: 'c%()ccccc%()'
+59: [20:55:08] SMILES Parse Error: syntax error while parsing: c%(100000)ccccc%(100000)
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 9:
+59: [20:55:08] c%(100000)ccccc%(100000)
+59: [20:55:08] ~~~~~~~~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'c%(100000)ccccc%(100000)' for input: 'c%(100000)ccccc%(100000)'
+59: [20:55:08] SMILES Parse Error: duplicated ring closure 1 bonds atom 2 to itself for input: 'C1CC111'
+59: [20:55:08] SMILES Parse Error: ring closure 1 duplicates bond between atom 0 and atom 1 for input: 'C1C1'
+59: [20:55:08] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 14:
+59: [20:55:08] COc(c1)cccc1C#
+59: [20:55:08] ~~~~~~~~~~~~~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:55:08] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:55:08] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 14:
+59: [20:55:08] COc(c1)cccc1C#
+59: [20:55:08] ~~~~~~~~~~~~~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:55:08] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:55:08] SMILES Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 14:
+59: [20:55:08] COc(c1)cccc1C#
+59: [20:55:08] ~~~~~~~~~~~~~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: [20:55:08] SMARTS Parse Error: syntax error while parsing: COc(c1)cccc1C#
+59: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'COc(c1)cccc1C#' for input: 'COc(c1)cccc1C#'
+59: C=c1s/c2n(c1=O)CCCCCCC\N=2
+59: C1=C\C/C=C2C3=C\C/C=C\C=C/C/3C\2\C=C/1
+59: [20:55:08] SMILES Parse Error: extra close parentheses while parsing: C)
+59: [20:55:08] SMILES Parse Error: check for mistakes around position 2:
+59: [20:55:08] C)
+59: [20:55:08] ~^
+59: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'C)' for input: 'C)'
+63: [20:55:08] w block attempts to set wedging on bond 0 more than once.
+63: [20:55:08] improperly formatted w block
+63: [20:55:08] atom 3 is not associated with bond 1(1-2) in w block
+63: [20:55:08] 
+63: 
+63: ****
+63: Range Error
+63: idx
+63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+63: Failed Expression: 20 < 20
+63: ----------
+63: Stacktrace:
+63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  7# 0x000055B0BE9ED41D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x000055B0BEA3E6E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x000055B0BEA3F208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x000055B0BEA3F680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x000055B0BEA10CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x000055B0BEA1102C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x000055B0BE9A2CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x00007F3C1E033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+63: 16# 0x000055B0BE9A2D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: ----------
+63: ****
+63: 
+63: [20:55:08] 
+63: 
+63: ****
+63: Range Error
+63: idx
+63: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+63: Failed Expression: 20 < 20
+63: ----------
+63: Stacktrace:
+63:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+63:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  3# RDKit::Canon::canonicalizeFragment(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, std::vector<RDKit::Canon::MolStackElem, std::allocator<RDKit::Canon::MolStackElem> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+63:  4# RDKit::SmilesWrite::FragmentSmilesConstruct(RDKit::ROMol&, int, std::vector<RDKit::Canon::AtomColors, std::allocator<RDKit::Canon::AtomColors> >&, std::vector<unsigned int, std::allocator<unsigned int> > const&, RDKit::SmilesWriteParams const&, std::vector<unsigned int, std::allocator<unsigned int> >&, std::vector<unsigned int, std::allocator<unsigned int> >&, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, boost::dynamic_bitset<unsigned long, std::allocator<unsigned long> > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*, std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > > const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  5# RDKit::SmilesWrite::detail::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  6# RDKit::MolToSmiles[abi:cxx11](RDKit::ROMol const&, RDKit::SmilesWriteParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+63:  7# 0x000055B0BE9ED41D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  8# 0x000055B0BEA3E6E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63:  9# 0x000055B0BEA3F208 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 10# 0x000055B0BEA3F680 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 11# 0x000055B0BEA10CC3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 12# 0x000055B0BEA1102C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 13# 0x000055B0BE9A2CEE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: 14# 0x00007F3C1E033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+63: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+63: 16# 0x000055B0BE9A2D31 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SmilesParse/smiTestCatch
+63: ----------
+63: ****
+63: 
+63: [20:55:08] SMARTS Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [20:55:08] SMILES Parse Error: unclosed ring for input: 'C1.C2.C3.C4.C5'
+63: [20:55:08] SMARTS Parse Error: syntax error while parsing: C1C)foo
+63: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'C1C)foo' for input: 'C1C)foo'
+63: [20:55:08] SMILES Parse Error: extra close parentheses while parsing: C1C)foo
+63: [20:55:08] SMILES Parse Error: check for mistakes around position 4:
+63: [20:55:08] C1C)foo
+63: [20:55:08] ~~~^
+63: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'C1C)foo' for input: 'C1C)foo'
+72: Randomness seeded to: 174969959
+72: ===============================================================================
+72: All tests passed (15 assertions in 3 test cases)
+72: 
+67: Randomness seeded to: 847187630
+67: ===============================================================================
+67: All tests passed (580 assertions in 18 test cases)
+67: 
+ 48/235 Test  #72: testSquiggleDoubleBonds ................   Passed    0.15 sec
+test 90
+        Start  90: testSubstructMatch
+
+90: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+90: Test timeout computed to be: 1500
+ 49/235 Test  #59: smiTest1 ...............................   Passed    0.25 sec
+ 50/235 Test  #67: depictorCatch ..........................   Passed    0.18 sec
+test 91
+        Start  91: substructTestCatch
+
+91: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
+91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
+91: Test timeout computed to be: 1500
+test 92
+        Start  92: testGenericGroups
+
+92: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
+92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
+92: Test timeout computed to be: 1500
+63: ===============================================================================
+63: All tests passed (1584 assertions in 68 test cases)
+63: 
+82: Randomness seeded to: 1925358471
+82: ===============================================================================
+82: All tests passed (95 assertions in 4 test cases)
+82: 
+74: [20:55:08] Finished: testMae()
+74: [20:55:08] -----------------------------------------
+74: 
+74: [20:55:08] 
+74: -----------------------------------------
+74: [20:55:08] Finished: testTdt()
+74: [20:55:08] -----------------------------------------
+74: 
+85: Randomness seeded to: 561111174
+85: [20:55:08] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:55:08] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:55:08] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: [20:55:08] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
+85: ===============================================================================
+85: All tests passed (142 assertions in 6 test cases)
+85: 
+ 51/235 Test  #63: smiTestCatch ...........................   Passed    0.24 sec
+ 52/235 Test  #82: testPropertyLists ......................   Passed    0.10 sec
+ 53/235 Test  #85: molfileStereoCatchTest .................   Passed    0.08 sec
+test 93
+        Start  93: testReaction
+
+93: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
+93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+93: Test timeout computed to be: 1500
+test 94
+        Start  94: testReactionFingerprints
+
+94: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
+94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+94: Test timeout computed to be: 1500
+test 95
+        Start  95: testEnumeration
+
+95: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
+95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+95: Test timeout computed to be: 1500
+47: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:55:08] Finished: testMolSup()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testRandMolSup()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+ 54/235 Test  #74: testGeneralFileReader ..................   Passed    0.17 sec
+test 96
+        Start  96: rxnTestCatch
+
+96: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
+96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
+96: Test timeout computed to be: 1500
+83: Randomness seeded to: 2301800421
+83: ===============================================================================
+83: All tests passed (100 assertions in 2 test cases)
+83: 
+ 55/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.10 sec
+test 97
+        Start  97: pyChemReactions
+
+97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
+97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+97: Test timeout computed to be: 1500
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+86: Randomness seeded to: 808106121
+86: ===============================================================================
+86: All tests passed (8 assertions in 1 test case)
+86: 
+ 56/235 Test  #86: connectTheDotsTest .....................   Passed    0.09 sec
+test 98
+        Start  98: pyChemReactionEnumerations
+
+98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
+98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+98: Test timeout computed to be: 1500
+90:  ----------------- Test 1
+90: Done
+90: 
+90:  ----------------- Test 2
+90: Done
+90: 
+90:  ----------------- Test 3
+90: Done
+90: 
+90:  ----------------- Test 4
+90: Done
+90: 
+90:  ----------------- Test 5
+90: Done
+90: 
+90:  ----------------- Test 5 QueryRoot
+90: Done
+90: 
+90:  ----------------- Test 6 (Issue71 related)
+90: Done
+90: 
+90:  ----------------- Testing serial numbers on recursive queries
+90: Done
+90: 
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test multithreading
+90: reading molecules
+87: Randomness seeded to: 2999306522
+87: ===============================================================================
+87: All tests passed (12 assertions in 5 test cases)
+87: 
+69: Using new chirality perception
+69: Test
+69: 
+69:  rxnStereoMarkedCrossed.mrv
+69: 
+69: Test
+69: 
+69:  145323811.mol
+69: 
+69: [20:55:08] unsupported number of radical electrons 5
+ 57/235 Test  #87: v2MolSuppliers .........................   Passed    0.08 sec
+test 99
+        Start  99: pyChemReactionSanitize
+
+99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
+99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
+99: Test timeout computed to be: 1500
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+94: [20:55:08] -------------------------------------
+94: [20:55:08]     Test Reaction StructuralFingerprint
+73: [20:55:08] Finished: testSmilesSup()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] ------------------------------------------------------
+73: [20:55:08] SMILES Parse Error: syntax error while parsing: fail
+73: [20:55:08] SMILES Parse Error: check for mistakes around position 1:
+73: [20:55:08] fail
+73: [20:55:08] ^
+73: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+73: [20:55:08] ERROR: Smiles parse error on line 3
+73: [20:55:08] ERROR: Cannot create molecule from : 'fail'
+73: [20:55:08] ------------------------------------------------------
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:55:08] ------------------------------------------------------
+73: [20:55:08] >>> This may result in an infinite loop.  It should finish almost immediately:
+73: [20:55:08] <<< done.
+73: [20:55:08] Finished: testSmilesSupFromText()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+81: Randomness seeded to: 2404594055
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 29
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [20:55:08] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 28
+81: [20:55:08] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 35
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   2  1  12' on line 38
+81: [20:55:08] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   1  1   8' on line 34
+81: [20:55:08] SGroup SAP line too short: 'M  SAP   2  1  12' on line 39
+81: [20:55:08] Could not infer missing lvIdx on malformed SAP line for SGroup 1
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+88: Randomness seeded to: 2996821886
+88: ===============================================================================
+88: All tests passed (6 assertions in 1 test case)
+88: 
+93: smi: O=C1CNC(=O)CN1
+93: 1: O=C1CNC(=O)CN1
+93: 2: COOC
+ 58/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.08 sec
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+73: [20:55:08] Finished: testSmilesWriter()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+test 100
+        Start 100: testChemTransforms
+
+100: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
+100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
+100: Test timeout computed to be: 1500
+93: O=C1CNC(=O)CN1
+47: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:55:08] SGroup 3 referenced on line 40 not found.
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19867,24 +19494,24 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x000055BCAD050769 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  7# 0x0000562DBEE9A769 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] SGroup 3 referenced on line 40 not found.
-81: [12:06:50] 
+81: [20:55:08] SGroup 3 referenced on line 40 not found.
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19897,29 +19524,38 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  7# 0x000055BCAD050812 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  7# 0x0000562DBEE9A812 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] no bonds
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup line too short: 'M  SBV   1   6' on line 42
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
-81: [12:06:50] SGroup 2 is invalid and will be ignored
-81: [12:06:50] 
+81: [20:55:08] no bonds
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+81: [20:55:08] SGroup line too short: 'M  SBV   1   6' on line 42
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+94: [20:55:08] -------------------------------------
+94: [20:55:08]     Test Reaction DifferenceFingerprint
+70: ***************************************
+70: ***************************************
+ 59/235 Test  #78: testMol2ToMol ..........................   Passed    0.19 sec
+ 60/235 Test  #94: testReactionFingerprints ...............   Passed    0.05 sec
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:55:08] SGroup line too short: 'M  SBL   2  3   9  10' on line 46
+81: [20:55:08] SGroup 2 is invalid and will be ignored
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19933,25 +19569,63 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x000055BCAD0513D2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x0000562DBEE9B3D2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
+73: [20:55:08] Finished: testSDWriter()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testSDSupplierEnding()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testSuppliersEmptyFile()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+test 101
+        Start 101: chemTransformsTestCatch
+
+101: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
+101: Test timeout computed to be: 1500
+test 102
+        Start 102: tautomerQueryTestCatch
+
+102: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
+102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
+102: Test timeout computed to be: 1500
+96: Randomness seeded to: 1298936321
+96: [20:55:08] atom 0 in product 0 has multiple charge specifications.
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 34
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 36
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 38
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 40
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 42
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 87
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 89
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 91
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 93
+96: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 95
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+47: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
@@ -19963,24 +19637,24 @@
 81:  2# RDKit::ROMol::getUniqueBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addBondWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x000055BCAD05147A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x0000562DBEE9B47A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] 
+81: [20:55:08] bookmark not found
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -19994,25 +19668,25 @@
 81:  2# RDKit::SubstanceGroup::getBondType(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addCState(unsigned int, RDGeom::Point3D const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000SBVLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34DA81E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x000055BCAD05147A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x0000562DBEE9B47A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bond is not part of the SubstanceGroup
-81: [12:06:50] SGroup 2 is invalid and will be ignored
-81: [12:06:50] 
+81: [20:55:08] bond is not part of the SubstanceGroup
+81: [20:55:08] SGroup 2 is invalid and will be ignored
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20026,23 +19700,23 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x000055BCAD0517E9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x0000562DBEE9B7E9 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20056,27 +19730,27 @@
 81:  2# RDKit::ROMol::getUniqueAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  3# RDKit::SubstanceGroup::addAtomWithBookmark(int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 81:  4# RDKit::SGroupParsing::ParseSGroupV2000VectorDataLine(std::map<int, RDKit::SubstanceGroup, std::less<int>, std::allocator<std::pair<int const, RDKit::SubstanceGroup> > >&, RDKit::RWMol*, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, unsigned int, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34DA6AB in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  8# 0x000055BCAD051891 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  8# 0x0000562DBEE9B891 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 17# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 17# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
-81: [12:06:50] SGroup 2 is invalid and will be ignored
-81: [12:06:50] WARNING: final character of V3000 array is not ')'
-81: [12:06:50] 
+81: [20:55:08] bookmark not found
+81: [20:55:08] Neither beginning nor ending atoms of bond 9 is in this SubstanceGroup.
+81: [20:55:08] SGroup 2 is invalid and will be ignored
+81: [20:55:08] WARNING: final character of V3000 array is not ')'
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20094,21 +19768,21 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F0F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE990F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] WARNING: final character of V3000 array is not ')'
-81: [12:06:50] 
+81: [20:55:08] WARNING: final character of V3000 array is not ')'
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20126,30 +19800,25 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F18B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE9918B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] WARNING: final character of V3000 array is not ')'
-81: [12:06:50] 
+81: [20:55:08] bookmark not found
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+81: [20:55:08] WARNING: final character of V3000 array is not ')'
+81: [20:55:08] 
 81: 
 81: ****
-83: Randomness seeded to: 1130714172
-83: ===============================================================================
-83: All tests passed (100 assertions in 2 test cases)
-83: 
- 64/235 Test  #83: XYZFileParserCatchTest .................   Passed    0.10 sec
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
@@ -20165,29 +19834,23 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F4F4 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE994F4 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] WARNING: final character of V3000 array is not ')'
-81: [12:06:50] 
+81: [20:55:08] WARNING: final character of V3000 array is not ')'
+81: [20:55:08] 
 81: 
 81: ****
-test 84
-        Start  84: cdxmlParserCatchTest
-
-84: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/cdxmlParserCatchTest
-84: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-84: Test timeout computed to be: 1500
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
@@ -20203,24 +19866,50 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F58C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE9958C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] SGroup 1 is invalid and will be ignored
-81: [12:06:50] 
+81: [20:55:08] bookmark not found
+81: [20:55:08] SGroup 1 is invalid and will be ignored
+73: [20:55:08] Finished: testCisTrans()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testStereoRound()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+84: Randomness seeded to: 2663600931
+84: [20:55:08] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [20:55:08] Explicit valence for atom # 3 N, 4, is greater than permitted
+84: [20:55:08] CDXMLParser: failed sanitizing skipping fragment 32
+84: [20:55:08] Bad bond in CDXML skipping fragment 58...
+84: [20:55:08] Invalid or missing fragment id from CDXML fragment, assigning new one...
+84: [20:55:08] Bad bond in CDXML skipping fragment 58...
+81: [20:55:08] 
 81: 
 81: ****
+73: [20:55:08] Finished: testIssue226()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 267 in file ./Code/GraphMol/ROMol.cpp
@@ -20236,20 +19925,20 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F8F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE998F3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20267,24 +19956,32 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04F98C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE9998C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] SGroup 2 is invalid and will be ignored
-81: [12:06:50] 
+81: [20:55:08] bookmark not found
+81: [20:55:08] SGroup 2 is invalid and will be ignored
+81: [20:55:08] 
 81: 
 81: ****
+96: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+90:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+90: processing
+90:  launch :0
+90:  launch :1
+90:  launch :2
+90:  launch :3
 81: Pre-condition Violation
 81: bookmark not found
 81: Violation occurred on line 245 in file ./Code/GraphMol/ROMol.cpp
@@ -20300,20 +19997,22 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04FCF2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE99CF2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+96: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20331,151 +20030,176 @@
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD04FD8C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE99D8C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] bookmark not found
-81: [12:06:50] SGroup 2 is invalid and will be ignored
-82: Randomness seeded to: 2881732791
-82: ===============================================================================
-82: All tests passed (95 assertions in 4 test cases)
-82: 
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
- 65/235 Test  #82: testPropertyLists ......................   Passed    0.13 sec
-test 85
-        Start  85: molfileStereoCatchTest
-
-85: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/molfileStereoCatchTest
-85: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-85: Test timeout computed to be: 1500
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [12:06:50] Explicit valence for atom # 2 O, 3, is greater than permitted
-61: Test
-61: 
-61:  RP-6306_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  Sotorasib_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  Sotorasib_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  Sotorasib_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  Sotorasib_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  Sotorasib_atrop5.cxsmi
-61: 
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-81: [12:06:50] Explicit valence for atom # 1 O, 3, is greater than permitted
-81: [12:06:50] Explicit valence for atom # 1 C, 5, is greater than permitted
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-76: [12:06:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-30: ...
-30: ----------------------------------------------------------------------
-30: Ran 12 tests in 0.938s
-30: 
-30: OK
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-61: [12:06:50] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-71: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-76: 0.40201265 0.40201265
-76: -0.13299436 -0.13299436
-76: 1.00000017 1.00000017
-76: 0.8762226 0.8762226
-76: 0.9973909 0.9973909
-76: 1.00000003 1.00000003
-76: 0.36613799 0.36613799
-76: 2.1107185 2.1107185
-76: 0.99999982 0.99999982
-76: 2.48696157 2.48696157
-76: 1.00479935 1.00479935
-76: 0.99999999 0.99999999
-76: 3.03311841 3.03311841
-76: 2.23739955 2.23739955
-76: 1.0000001 1.0000001
-76: 3.00772337 3.00772337
-76: 0.37399294 0.37399294
-76: 2.07713325 2.07713325
-76: 3.0077234 3.0077234
-76: 0.37399312 0.37399312
-76: -0.07713336 -0.07713336
-61: Test
-61: 
-61:  Sotorasib_atropBad1.cxsmi
-61: 
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
-61: Test
-61: 
-61:  Sotorasib_atropBad2.cxsmi
-61: 
-61: [12:06:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [12:06:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-76: [12:06:50] bond with order 0 found on line 11. This is not part of the MDL specification.
-76: [12:06:50] bond with order 0 found on line 16. This is not part of the MDL specification.
-61: [12:06:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [12:06:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-61: [12:06:50] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
-81: [12:06:50] sanitize [12:06:50] UNK: [12:06:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-85: Randomness seeded to: 174701469
-85: [12:06:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [12:06:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [12:06:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: [12:06:50] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 2 ignored.
-85: ===============================================================================
-85: All tests passed (142 assertions in 6 test cases)
-85: 
- 66/235 Test  #85: molfileStereoCatchTest .................   Passed    0.12 sec
-test 86
-        Start  86: connectTheDotsTest
+81: [20:55:08] bookmark not found
+81: [20:55:08] SGroup 2 is invalid and will be ignored
+93: [20:55:08] atom 0 in product 0 has multiple charge specifications.
+93:  mass: 15.0001
+96: [20:55:08] SMARTS Parse Error: unclosed ring for input: 'CC1'
+96: [20:55:08] SMILES Parse Error: unclosed ring for input: 'CC1'
+96: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [20:55:08] product atom-mapping number 2 not found in reactants.
+73: [20:55:08] Finished: testTDTSupplier1()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+93: Oc1ccccn1
+93: Oc1ccc[nH]1
+66: [20:55:08] Warning: stereochemistry around double bond may be incorrect in depiction.
+73: [20:55:08] Finished: testTDTSupplier2()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+96: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+96:   unmapped numbers are: 2 
+96: [20:55:08] product atom-mapping number 2 not found in reactants.
+47: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:55:08] Finished: testTDTSupplier3()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testSDSupplierFromText()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+81: [20:55:08] Explicit valence for atom # 2 O, 3, is greater than permitted
+81: [20:55:08] Explicit valence for atom # 1 O, 3, is greater than permitted
+81: [20:55:08] Explicit valence for atom # 1 C, 5, is greater than permitted
+96: [20:55:08] CX Extensions: Substance group hierarchy is not always preserved.
+96: [20:55:08] CX Extensions: Substance group hierarchy is not always preserved.
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Spurious data before the first property will be ignored
+73: [20:55:08] Property <ID> will be truncated after the first blank line
+73: [20:55:08] Property <ID> will be truncated after the first blank line
+73: [20:55:08] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:55:08] Finished: testSDSupplierStrLax1()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:55:08] Finished: testSDSupplierStrLax2()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Spurious data before the first property will be ignored
+73: [20:55:08] Property <ID> will be truncated after the first blank line
+73: [20:55:08] Property <ID> will be truncated after the first blank line
+73: [20:55:08] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:55:08] Finished: testSDSupplierFromTextStrLax1()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] ERROR: Problems encountered parsing data fields
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+73: [20:55:08] Finished: testSDSupplierFromTextStrLax2()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testIssue265()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] ERROR: End of data field name not found
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule ending on line 16
+73: [20:55:08] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Atom line too short: '  1  2  1  0  0  0  0' on line 12
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+100: 1 smi: CC
+100: 1 smi: CC
+73: [20:55:08] ERROR: Bond line too short: 'M  END' on line 18
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Finished: testSDErrorHandling()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+100: 2 smi: CCO[C@H](N)P
+100: 2 smi: CC
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+100: replaceSub smi1:CCP(CC)[C@@H](N)O
+100: replaceSub smi1:CCNCC
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
+100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
+81: [20:55:08] sanitize [20:55:08] UNK: [20:55:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+73: [20:55:08] Finished: testIssue381()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+96: [20:55:08] reactant 0 has no mapped atoms.
+96: [20:55:08] product 0 has no mapped atoms.
+96: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+96: [20:55:08] Explicit valence for atom # 1 O, 5, is greater than permitted
+73: [20:55:08] Finished: testSetStreamIndices()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: [C:2])
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
+96: ===============================================================================
+96: All tests passed (722 assertions in 30 test cases)
+96: 
+73: [20:55:08] Finished: testMixIterAndRandom()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+93: [20:55:08] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:55:08] SMILES Parse Error: check for mistakes around position 2:
+93: [20:55:08] [Q:1][C:2][C:3](=[O:4])[O:5]
+93: [20:55:08] ~^
+93: [20:55:08] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
+ 61/235 Test  #96: rxnTestCatch ...........................   Passed    0.09 sec
+test 103
+        Start 103: pyTautomerQuery
 
-86: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/connectTheDotsTest
-86: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-86: Test timeout computed to be: 1500
-68: ..............[12:06:50] SMILES Parse Error: syntax error while parsing: invalidsmiles
-68: [12:06:50] SMILES Parse Error: check for mistakes around position 1:
-68: [12:06:50] invalidsmiles
-68: [12:06:50] ^
-68: [12:06:50] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
-81: [12:06:50] skipping block at line 7: 'BEGIN ATOM'
+103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
+103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
+103: Test timeout computed to be: 1500
+73: build:
+73: [20:55:08] Finished: testRemoveHs()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+81: [20:55:08] skipping block at line 7: 'BEGIN ATOM'
 81: ATOM      1 CHLO CHL     0       0.000   0.000   0.000  1.00  0.00          CL  
 81: END
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20487,21 +20211,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x000055BCAD03FD7D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000562DBEE89D7D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20513,21 +20237,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::ForwardSDMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x000055BCAD03FF58 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000562DBEE89F58 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20539,21 +20263,21 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::SmilesMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x000055BCAD040391 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000562DBEE8A391 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20565,28 +20289,60 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::TDTMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x000055BCAD040716 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000562DBEE8A716 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
- 67/235 Test  #76: testMolWriter ..........................   Passed    0.77 sec
-test 87
-        Start  87: v2MolSuppliers
-
-87: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2MolSuppliers
-87: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-87: Test timeout computed to be: 1500
-81: [12:06:50] 
+93: [20:55:08] reactant 2 has no mapped atoms.
+93: [20:55:08] >> Atoms within one molecule have different RXN roles.
+93: [20:55:08] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: ([C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
+93: [20:55:08] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
+93: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+76: [20:55:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+76: 0.40201265 0.40201265
+76: -0.13299436 -0.13299436
+76: 1.00000017 1.00000017
+76: 0.8762226 0.8762226
+76: 0.9973909 0.9973909
+76: 1.00000003 1.00000003
+76: 0.36613799 0.36613799
+76: 2.1107185 2.1107185
+76: 0.99999982 0.99999982
+76: 2.48696157 2.48696157
+76: 1.00479935 1.00479935
+76: 0.99999999 0.99999999
+76: 3.03311841 3.03311841
+76: 2.23739955 2.23739955
+76: 1.0000001 1.0000001
+76: 3.00772337 3.00772337
+76: 0.37399294 0.37399294
+76: 2.07713325 2.07713325
+76: 3.0077234 3.0077234
+76: 0.37399312 0.37399312
+76: -0.07713336 -0.07713336
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20598,31 +20354,105 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  4# 0x000055BCAD040993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  3# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  4# 0x0000562DBEE8A993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] Found a SCD/SED line with missing/empty SDT specification at line 21
-81: [12:06:50] Found a SCD/SED line with missing/empty SDT specification at line 20
-81: [12:06:50] BEGIN SGROUP line not found on line 14
-81: [12:06:50]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
-81: [12:06:50] END SGROUP line not found on line 14
-81: [12:06:50] END SGROUP line not found on line 14
-81: [12:06:50] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
-81: [12:06:50] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
-81: [12:06:50] 
+93: [20:55:08] reactant 0 has no mapped atoms.
+93: [20:55:08] reactant 1 has no mapped atoms.
+93: [20:55:08] reactant 3 has no mapped atoms.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 5 found multiple times.
+93: [20:55:08] product atom-mapping number 6 found multiple times.
+93: [20:55:08] product atom-mapping number 7 found multiple times.
+93: [20:55:08] product atom-mapping number 8 found multiple times.
+93: [20:55:08] product atom-mapping number 12 found multiple times.
+93: [20:55:08] product atom-mapping number 9 found multiple times.
+93: [20:55:08] product atom-mapping number 10 found multiple times.
+93: [20:55:08] product atom-mapping number 11 found multiple times.
+93: [20:55:08] reactant 0 has no mapped atoms.
+93: [20:55:08] reactant 1 has no mapped atoms.
+93: [20:55:08] reactant 3 has no mapped atoms.
+93: [20:55:08] reactant atom-mapping number 19 found multiple times.
+93: [20:55:08] reactant atom-mapping number 25 found multiple times.
+93: [20:55:08] reactant atom-mapping number 20 found multiple times.
+93: [20:55:08] reactant atom-mapping number 21 found multiple times.
+93: [20:55:08] reactant atom-mapping number 22 found multiple times.
+93: [20:55:08] reactant atom-mapping number 23 found multiple times.
+93: [20:55:08] reactant atom-mapping number 24 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+73: [20:55:08] Finished: testGetItemText()
+73: [20:55:08] -----------------------------------------
+73: 
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+81: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 21
+73: [20:55:08] -----------------------------------------
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+81: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 20
+100: [20:55:08] SMARTS Parse Error: syntax error while parsing: bar
+100: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
+81: [20:55:08] BEGIN SGROUP line not found on line 14
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+81: [20:55:08]  Unhandled CTAB feature: 'Unsupported SGroup type '' on line 18'. Molecule skipped.
+81: [20:55:08] END SGROUP line not found on line 14
+93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [20:55:08] END SGROUP line not found on line 14
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
+76: [20:55:08] bond with order 0 found on line 11. This is not part of the MDL specification.
+76: [20:55:08] bond with order 0 found on line 16. This is not part of the MDL specification.
+93: [20:55:08] product atom-mapping number 5 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 5 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
+81: [20:55:08] MRV_COORDINATE_BOND_TYPE SGroup with value 0 does not reference a query bond, ignoring.
+81: [20:55:08] MRV_COORDINATE_BOND_TYPE SGroup with value 1 does not reference a query bond, ignoring.
+81: [20:55:08] 
 81: 
 81: ****
+93: [20:55:08] product atom-mapping number 5 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 5 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
 81: Range Error
 81: idx
 81: Violation occurred on line 329 in file ./Code/GraphMol/ROMol.cpp
@@ -20635,49 +20465,173 @@
 81:  3# RDKit::FileParserUtils::finishMolProcessing(RDKit::RWMol*, bool, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  4# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  5# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  6# 0x000055BCAD08438F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD045D93 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  6# 0x0000562DBEECE38F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEE8FD93 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 15# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 16# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
-81: [12:06:50] Multiple ATTCHPT values for atom 2 on line 9
-84: Randomness seeded to: 1802837728
-84: [12:06:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [12:06:50] Explicit valence for atom # 3 N, 4, is greater than permitted
-84: [12:06:50] CDXMLParser: failed sanitizing skipping fragment 32
-84: [12:06:50] Bad bond in CDXML skipping fragment 58...
-84: [12:06:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: [12:06:50] Bad bond in CDXML skipping fragment 58...
-81: [12:06:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-81: [12:06:50] SMARTS Parse Error: syntax error while parsing: [#6;R
-81: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
-81: [12:06:50] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
-81: [12:06:50] Skipping empty SMARTS value for SMARTSQ.
-81: [12:06:50] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
-81: [12:06:50] Found a SCD/SED line with missing/empty SDT specification at line 12
-81: [12:06:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-36: [12:06:50] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
-81: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [12:06:50] WARNING: Skipping property bar because the value includes an illegal blank line
-81: [12:06:50] WARNING: Skipping property baz because the value includes an illegal blank line
-81: [12:06:50] WARNING: Skipping property bletch
+81: [20:55:08] molecule does not contain a bond matching the MRV_COORDINATE_BOND_TYPE SGroup for bond 99, ignoring.
+81: [20:55:08] Multiple ATTCHPT values for atom 2 on line 9
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] product atom-mapping number 4 found multiple times.
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+93: [20:55:08] product atom-mapping number 3 found multiple times.
+93: [20:55:08] product atom-mapping number 2 found multiple times.
+93: [20:55:08] product atom-mapping number 1 found multiple times.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 4 
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+70: [20:55:08] bond with order 0 found on line 7. This is not part of the MDL specification.
+93: [20:55:08] product atom-mapping number 6 not found in reactants.
+93: [20:55:08] product atom-mapping number 7 not found in reactants.
+93: [20:55:08] product atom-mapping number 8 not found in reactants.
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+81: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 12
+101: Randomness seeded to: 2776050821
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x000056054F8601D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+81: [20:55:08] SMARTS Parse Error: syntax error while parsing: [#6;R
+81: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[#6;R' for input: '[#6;R'
+81: [20:55:08] SMARTS for SMARTSQ '[#6;R' could not be parsed or has no atoms. Ignoring it.
+81: [20:55:08] Skipping empty SMARTS value for SMARTSQ.
+81: [20:55:08] unrecognized QUERYOP '>' for SMARTSQ. Query ignored.
+81: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 12
+81: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+93: [20:55:08] product atom-mapping number 7 not found in reactants.
+93: [20:55:08] product atom-mapping number 8 not found in reactants.
+93: [20:55:08] product atom-mapping number 9 not found in reactants.
+93: [20:55:08] product atom-mapping number 10 not found in reactants.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 6 
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+69: Test
+69: 
+69:  NewChiralTest.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTest.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.sdf
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.sdf
+69: 
+69: Test
+69: 
+69:  vendor839.sdf
+69: 
+69: Test
+69: 
+69:  ProblemShort.mol
+69: 
+69: [20:55:08] For a MultipleSgroup expansion, the matching orphaned bond was not found
+69: The multiple sgroup will be ignored
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+93: [20:55:08] product atom-mapping number 7 not found in reactants.
+93: [20:55:08] product atom-mapping number 8 not found in reactants.
+93: [20:55:08] product atom-mapping number 9 not found in reactants.
+93: [20:55:08] product atom-mapping number 10 not found in reactants.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 6 
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+81: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:55:08] WARNING: Skipping property bar because the value includes an illegal blank line
+81: [20:55:08] WARNING: Skipping property baz because the value includes an illegal blank line
+81: [20:55:08] WARNING: Skipping property bletch
 81: nope because the name includes a newline
-81: [12:06:50] WARNING: Skipping property bletch
+81: [20:55:08] WARNING: Skipping property bletch
 81: nope2 because the name includes a newline
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
 81: Post-condition Violation
 81: Element 'QQQ' not found
 81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
@@ -20687,26 +20641,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007F9A3A8C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007F72A34C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD01747C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE6147C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20718,28 +20672,29 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007F9A3A8C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007F72A34C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34D3AC2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34D4FAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD016B5A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE60B5A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 81: Post-condition Violation
 81: Element 'QQQ' not found
 81: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
@@ -20749,26 +20704,26 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007F9A3A8C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007F72A34C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD017424 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE61424 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Post-condition Violation
@@ -20780,78 +20735,100 @@
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  3# 0x00007F9A3A8C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x00007F9A3A8D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  5# 0x00007F9A3A8D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  3# 0x00007F72A34C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  4# 0x00007F72A34D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  5# 0x00007F72A34D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  8# RDKit::v2::FileParsers::MolFromMolBlock(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  9# 0x000055BCAD0170C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 13# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 14# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 15# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 16# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  9# 0x0000562DBEE610C2 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 15# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 16# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 17# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 18# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 18# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50]  atom 3 has a negative isotope value. line:  15
-61: Test
-61: 
-61:  Sotorasib_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  ZM374979_atropBad1.cxsmi
-61: 
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
- 68/235 Test  #66: testDepictor ...........................   Passed    1.30 sec
-test 88
-        Start  88: v2FileParsersCatchTest
-
-88: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/v2FileParsersCatchTest
-88: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-88: Test timeout computed to be: 1500
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-86: Randomness seeded to: 4039689652
-86: ===============================================================================
-86: All tests passed (8 assertions in 1 test case)
-86: 
- 69/235 Test  #86: connectTheDotsTest .....................   Passed    0.12 sec
-test 89
-        Start  89: multithreadedSupplierCatchTest
+84: [20:55:08] WARNING: not removing hydrogen atom without neighbors
+84: [20:55:08] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
+93: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
+93: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
+81: [20:55:08]  atom 3 has a negative isotope value. line:  15
+73: [20:55:08] Finished: testForwardSDSupplier()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testMissingCRSDSupplier()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testIssue3482695()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] 
+101: 
+101: ****
+101: Invariant Violation
+101: molzip: bond info already exists for end atom with label:1
+101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
+101: Failed Expression: !bond.b
+101: ----------
+101: Stacktrace:
+101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
+101:  4# 0x000056054F8601D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+101: 13# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: ----------
+101: ****
+101: 
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+73: [20:55:08] ERROR: Cannot convert 'foo' to unsigned int on line 557
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Finished: testIssue3525673()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testBlankLinesInProps()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testSkipLines()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testGitHub23()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testGitHub88()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+ 62/235 Test  #76: testMolWriter ..........................   Passed    0.28 sec
+test 104
+        Start 104: testSubgraphs1
 
-89: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/multithreadedSupplierCatchTest
-89: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers
-89: Test timeout computed to be: 1500
-87: Randomness seeded to: 2393361805
-87: ===============================================================================
-87: All tests passed (12 assertions in 5 test cases)
-87: 
-81: [12:06:50] 
+104: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
+104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+104: Test timeout computed to be: 1500
+81: [20:55:08] 
 81: 
 81: ****
 81: Invariant Violation
@@ -20862,23 +20839,23 @@
 81: Stacktrace:
 81:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-81:  2# 0x00007F9A3A9947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+81:  2# 0x00007F72A35947E5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x000055BCAD084774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD05943C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 12# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  4# 0x0000562DBEECE774 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEEA343C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 12# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 14# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 14# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
-81: [12:06:50] 
+81: [20:55:08] 
 81: 
 81: ****
 81: Pre-condition Violation
@@ -20891,1373 +20868,21 @@
 81:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 81:  2# RDKit::v2::FileParsers::MaeMolSupplier::init() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
 81:  3# RDKit::v2::FileParsers::MaeMolSupplier::reset() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-81:  4# 0x000055BCAD0598C6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  5# 0x000055BCAD0C8268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  6# 0x000055BCAD0C8D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  7# 0x000055BCAD0C9200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  8# 0x000055BCAD09A903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81:  9# 0x000055BCAD09AC6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 10# 0x000055BCAD00DCDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
-81: 11# 0x00007F9A39E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+81:  4# 0x0000562DBEEA38C6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  5# 0x0000562DBEF12268 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  6# 0x0000562DBEF12D88 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  7# 0x0000562DBEF13200 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  8# 0x0000562DBEEE4903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81:  9# 0x0000562DBEEE4C6C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 10# 0x0000562DBEE57CDE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 11# 0x00007F72A2A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
 81: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-81: 13# 0x000055BCAD00DD21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
+81: 13# 0x0000562DBEE57D21 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersCatchTest
 81: ----------
 81: ****
 81: 
- 70/235 Test  #30: pyForceFieldConstraints ................   Passed    2.10 sec
- 71/235 Test  #87: v2MolSuppliers .........................   Passed    0.15 sec
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-test 90
-        Start  90: testSubstructMatch
-
-90: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-90: Test timeout computed to be: 1500
-test 91
-        Start  91: substructTestCatch
-
-91: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/substructTestCatch
-91: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct
-91: Test timeout computed to be: 1500
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] WARNING: not removing hydrogen atom without neighbors
-84: [12:06:50] CDXMLParser: Schema 80180 step 80181 ReactionStepAgents reaction fragment 64603 not found in document.
-88: Randomness seeded to: 2146339530
-88: ===============================================================================
-88: All tests passed (6 assertions in 1 test case)
-88: 
- 72/235 Test  #88: v2FileParsersCatchTest .................   Passed    0.10 sec
-test 92
-        Start  92: testGenericGroups
-
-92: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups/testGenericGroups
-92: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GenericGroups
-92: Test timeout computed to be: 1500
-90:  ----------------- Test 1
-90: Done
-90: 
-90:  ----------------- Test 2
-90: Done
-90: 
-90:  ----------------- Test 3
-90: Done
-90: 
-90:  ----------------- Test 4
-90: Done
-90: 
-90:  ----------------- Test 5
-90: Done
-90: 
-90:  ----------------- Test 5 QueryRoot
-90: Done
-90: 
-90:  ----------------- Test 6 (Issue71 related)
-90: Done
-90: 
-90:  ----------------- Testing serial numbers on recursive queries
-90: Done
-90: 
-90: [12:06:50] -------------------------------------
-90: [12:06:50]     Test multithreading
-90: reading molecules
-84: [12:06:50] Incomplete atom labelling, cannot make bond
-84: [12:06:50] Incomplete atom labelling, cannot make bond
-81: [12:06:50] ERROR: molecules without atoms cannot be exported to Maestro files.
-81: [12:06:50] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-81: [12:06:50] ERROR: the mol cannot be kekulized, and will not be written to the output file.
-81: [12:06:50] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
-81: [12:06:50] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[12:06:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-81: [12:06:50] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-81: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-61: Test
-61: 
-61:  Mrtx1719_3d.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop1.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop2.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop3.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atrop4.cxsmi
-61: 
-61: Test
-61: 
-61:  Mrtx1719_atropBad1.cxsmi
-61: 
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-61: [12:06:50] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
-90:  hits: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-90: processing
-90:  launch :0
-90:  launch :1
-90:  launch :2
-90:  launch :3
-84: [12:06:50] Incomplete atom labelling, cannot make bond
-84: [12:06:50] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [12:06:50] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
-84: [12:06:50] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
-84: [12:06:50] Failed to parse XML fragment 5 node: b attribute: Order: 5
-84: [12:06:50] Invalid or missing fragment id from CDXML fragment, assigning new one...
-84: ===============================================================================
-84: All tests passed (263 assertions in 7 test cases)
-84: 
- 73/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.61 sec
-test 93
-        Start  93: testReaction
-
-93: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReaction
-93: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-93: Test timeout computed to be: 1500
-68: .....
-68: ----------------------------------------------------------------------
-68: Ran 19 tests in 1.113s
-68: 
-68: OK
-93: smi: O=C1CNC(=O)CN1
-93: 1: O=C1CNC(=O)CN1
-93: 2: COOC
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-93: O=C1CNC(=O)CN1
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-93: [12:06:50] atom 0 in product 0 has multiple charge specifications.
-93:  mass: 15.0001
-93: Oc1ccccn1
-93: Oc1ccc[nH]1
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: ([C:1](=O)O.[C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '([C:1](=O)O.[C:2]' for input: '([C:1](=O)O.[C:2]'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: [C:1](=O)O).[C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=O)O).[C:2]' for input: '[C:1](=O)O).[C:2]'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: [C:2])
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[C:2])' for input: '[C:2])'
-93: [12:06:50] SMILES Parse Error: syntax error while parsing: [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [12:06:50] SMILES Parse Error: check for mistakes around position 2:
-93: [12:06:50] [Q:1][C:2][C:3](=[O:4])[O:5]
-93: [12:06:50] ~^
-93: [12:06:50] SMILES Parse Error: Failed parsing SMILES '[Q:1][C:2][C:3](=[O:4])[O:5]' for input: '[Q:1][C:2][C:3](=[O:4])[O:5]'
-93: [12:06:50] reactant 2 has no mapped atoms.
-93: [12:06:50] >> Atoms within one molecule have different RXN roles.
-90:  done
-90:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
-90: processing2
-90:  launch2 :0
-90:  launch2 :1
-90:  launch2 :2
-90:  launch2 :3
- 74/235 Test  #68: pyDepictor .............................   Passed    1.86 sec
-test 94
-        Start  94: testReactionFingerprints
-
-94: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testReactionFingerprints
-94: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-94: Test timeout computed to be: 1500
-93: [12:06:50] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role.
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: ([C:1][C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '([C:1][C:2]' for input: '([C:1][C:2]'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: ([C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '([C:2]' for input: '([C:2]'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: [C:1][C:2])
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1][C:2])' for input: '[C:1][C:2])'
-93: [12:06:50] SMARTS Parse Error: syntax error while parsing: [C:1]).[C:2]
-93: [12:06:50] SMARTS Parse Error: Failed parsing SMARTS '[C:1]).[C:2]' for input: '[C:1]).[C:2]'
-93: [12:06:50] reactant 0 has no mapped atoms.
-93: [12:06:50] reactant 1 has no mapped atoms.
-93: [12:06:50] reactant 3 has no mapped atoms.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 5 found multiple times.
-93: [12:06:50] product atom-mapping number 6 found multiple times.
-93: [12:06:50] product atom-mapping number 7 found multiple times.
-93: [12:06:50] product atom-mapping number 8 found multiple times.
-93: [12:06:50] product atom-mapping number 12 found multiple times.
-93: [12:06:50] product atom-mapping number 9 found multiple times.
-93: [12:06:50] product atom-mapping number 10 found multiple times.
-93: [12:06:50] product atom-mapping number 11 found multiple times.
-93: [12:06:50] reactant 0 has no mapped atoms.
-93: [12:06:50] reactant 1 has no mapped atoms.
-93: [12:06:50] reactant 3 has no mapped atoms.
-93: [12:06:50] reactant atom-mapping number 19 found multiple times.
-93: [12:06:50] reactant atom-mapping number 25 found multiple times.
-93: [12:06:50] reactant atom-mapping number 20 found multiple times.
-93: [12:06:50] reactant atom-mapping number 21 found multiple times.
-93: [12:06:50] reactant atom-mapping number 22 found multiple times.
-93: [12:06:50] reactant atom-mapping number 23 found multiple times.
-93: [12:06:50] reactant atom-mapping number 24 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 5 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 5 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 5 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 5 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: F[C@](Cl)(Br)ONO[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: F[C@@](Cl)(Br)O[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: F[C@](Cl)(Br)O[C@](F)(Cl)Br
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 4 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-93: [12:06:50] product atom-mapping number 3 found multiple times.
-93: [12:06:50] product atom-mapping number 2 found multiple times.
-93: [12:06:50] product atom-mapping number 1 found multiple times.
-93: [12:06:50] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 4 
-90:  done
-90:  preprocessing 3
-90:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
-90: processing3
-90:  launch3 :0
-90:  launch3 :1
-90:  launch3 :2
-90:  launch3 :3
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-93: [12:06:50] product atom-mapping number 6 not found in reactants.
-93: [12:06:50] product atom-mapping number 7 not found in reactants.
-93: [12:06:50] product atom-mapping number 8 not found in reactants.
-71: [12:06:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-94: [12:06:50] -------------------------------------
-94: [12:06:50]     Test Reaction StructuralFingerprint
-93: [12:06:51] product atom-mapping number 7 not found in reactants.
-93: [12:06:51] product atom-mapping number 8 not found in reactants.
-93: [12:06:51] product atom-mapping number 9 not found in reactants.
-93: [12:06:51] product atom-mapping number 10 not found in reactants.
-93: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 6 
-93: [12:06:51] product atom-mapping number 7 not found in reactants.
-93: [12:06:51] product atom-mapping number 8 not found in reactants.
-93: [12:06:51] product atom-mapping number 9 not found in reactants.
-93: [12:06:51] product atom-mapping number 10 not found in reactants.
-93: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 6 
-71: Atropisomers- 1 hits   3 misses
-71: Final results:
-71: Found atropisomers in TestMultInSDF.sdf - 1 hits   4 misses
-93: smi1 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
-93: smi2 [C:1][C:2][C:3]([O:4])([N:5])[Cl:6]>>[C:1][C:3]([C:2])([O:4])[N:5].[ClH:6]
- 75/235 Test  #71: testAtropisomers .......................   Passed    1.80 sec
-test 95
-        Start  95: testEnumeration
-
-95: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/testEnumeration
-95: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-95: Test timeout computed to be: 1500
-94: [12:06:51] -------------------------------------
-94: [12:06:51]     Test Reaction DifferenceFingerprint
- 76/235 Test  #94: testReactionFingerprints ...............   Passed    0.13 sec
-test 96
-        Start  96: rxnTestCatch
-
-96: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/rxnTestCatch
-96: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions
-96: Test timeout computed to be: 1500
-93: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
-91: Randomness seeded to: 2642961263
-91: ===============================================================================
-91: All tests passed (242 assertions in 12 test cases)
-91: 
- 77/235 Test  #91: substructTestCatch .....................   Passed    0.75 sec
-test 97
-        Start  97: pyChemReactions
-
-97: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py"
-97: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-97: Test timeout computed to be: 1500
-90:  done
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test GitHub issue 15
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test GitHub issue 409
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test chiral matching
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test dative-bond matching
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test cis/trans matching
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Test cis/trans matching part 2
-93: [12:06:51] product atom-mapping number 17 not found in reactants.
-93: [12:06:51] product atom-mapping number 18 not found in reactants.
-93: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-93:   unmapped numbers are: 12 
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
-90: [12:06:51]   done
-90: [12:06:51] -------------------------------------
-90: [12:06:51]     Testing matching E/Z against Cis/Trans stereo bonds
-90: [12:06:51] 
-90: 
-90: ****
-96: Randomness seeded to: 3685816354
-96: [12:06:51] atom 0 in product 0 has multiple charge specifications.
-90: Pre-condition Violation
-90: matches must not be empty
-90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-90: Failed Expression: !matches.empty()
-90: ----------
-90: Stacktrace:
-90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x0000559FBD5F342D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x0000559FBD5E3C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x00007F6AD3630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-90:  8# 0x0000559FBD5E3DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: ----------
-90: ****
-90: 
-90: [12:06:51] 
-90: 
-90: ****
-90: Pre-condition Violation
-90: matches must not be empty
-90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
-90: Failed Expression: !matches.empty()
-90: ----------
-90: Stacktrace:
-90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-90:  4# 0x0000559FBD5DE420 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  5# 0x0000559FBD5E3C91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90:  6# 0x00007F6AD3630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-90:  8# 0x0000559FBD5E3DD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
-90: ----------
-90: ****
-90: 
-90: [12:06:51] -------------------------------------
-90: [12:06:51] Test substructure matching with a pathological case for symmetric SSSR
-90: [12:06:51] -------------------------------------
-90: [12:06:51] Test isAtomTerminalRGroupOrQueryHydrogen
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 34
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 36
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 38
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 40
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 42
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 87
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 89
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 91
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 93
-96: [12:06:51] Found a SCD/SED line with missing/empty SDT specification at line 95
- 78/235 Test  #90: testSubstructMatch .....................   Passed    0.90 sec
-test 98
-        Start  98: pyChemReactionEnumerations
-
-98: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py"
-98: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-98: Test timeout computed to be: 1500
-96: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-69: Test
-69: 
-69:  badWedgeError.sdf
-69: 
-69: Test
-69: 
-69:  CrossedDoubleBondWithChiralNbr2.sdf
-69: 
-69: Test
-69: 
-69:  CrossedDoubleBondWithChiralNbr.sdf
-69: 
-69: Test
-69: 
-69:  SimpleWiggleDoubleBond.sdf
-69: 
-69: Test
-69: 
-69:  lostStereoAnd.sdf
-69: 
-69: Test
-69: 
-69:  DoubleBondChain.sdf
-69: 
-69: Test
-69: 
-69:  UnitsError.sdf
-69: 
-69: Test
-69: 
-69:  StarAtom.sdf
-69: 
-69: Test
-69: 
-69:  nonProprietary.mol
-69: 
-69: Test
-69: 
-69:  ChiralTest.sdf
-69: 
-69: Test
-69: 
-69:  TestBond1.mol
-69: 
-69: Test
-69: 
-69:  Sgroup_MUL_ParentInMiddle.sdf
-69: 
-69: Test
-69: 
-69:  BadRxn.rxn
-69: 
-69: Test
-69: 
-69:  FalseChiral.mrv
-69: 
-69: Test
-69: 
-69:  FalseChiral.mrv
-69: 
-69: Test
-69: 
-69:  Cubane.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTest.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTest.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTestAllChiral.mrv
-69: 
-69: Test
-69: 
-69:  DataSgroupMissingUnitsDisplayed.mrv
-69: 
-69: Test
-69: 
-69:  lostStereoAnd.mrv
-69: 
-69: Test
-69: 
-69:  DoubleBondChain.mrv
-69: 
-69: Test
-69: 
-69:  WigglyAndCrossed.mrv
-69: 
-69: Test
-69: 
-69:  BondTypes.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSGroupSUP_MUL.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupCOP_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupDAT_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupMULTICENTER_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupMUL_MUL.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupMUL_MUL2.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupMUL_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSRU_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSUPEXP_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSUPEXP_SUP2.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSUP_MULTICENTER.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSUP_SUP.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroupSUP_SUP2.mrv
-69: 
-69: Test
-69: 
-69:  RgroupBad.mrv
-69: 
-69: Test
-69: 
-69:  valenceLessThanDrawn.mrv
-69: 
-69: Test
-69: 
-69:  data_sgroup_no_fieldname.mrv
-69: 
-69: Test
-69: 
-69:  data_sgroup_empty_field_data.mrv
-69: 
-69: Test
-69: 
-69:  radical_value.mrv
-69: 
-69: Test
-69: 
-69:  emptyOneLineAtomList.mrv
-69: 
-69: Test
-69: 
-69:  mrvValence_value.mrv
-69: 
-69: Test
-69: 
-69:  ChiralTest2.mrv
-69: 
-69: Test
-69: 
-69:  ChiralTest.mrv
-69: 
-69: Test
-69: 
-69:  SnCl2.mrv
-69: 
-69: Test
-69: 
-69:  SnH2Cl2.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  marvin02.mrv
-69: 
-69: Test
-69: 
-69:  marvin07.mrv
-69: 
-69: Test
-69: 
-69:  marvin10.mrv
-69: 
-69: Test
-69: 
-69:  marvin06.mrv
-69: 
-69: Test
-69: 
-69:  marvin12.mrv
-69: 
-69: Test
-69: 
-69:  EmptyMol.mrv
-69: 
-69: Test
-69: 
-69:  Sparse.mrv
-69: 
-69: Test
-69: 
-69:  Sparse2.mrv
-69: 
-69: Test
-69: 
-69:  Sparse3.mrv
-69: 
-69: Test
-69: 
-69:  MarvinNoCoords.mrv
-69: 
-69: Test
-69: 
-69:  aspirin.mrv
-69: 
-69: Test
-69: 
-69:  MarvinStereoGroupsZeros.mrv
-69: 
-69: Test
-69: 
-69:  MarvinStereoGroupsAbs.mrv
-69: 
-69: Test
-69: 
-69:  triphenylphosphine.mrv
-69: 
-69: Test
-69: 
-69:  MarvinOldSuperGroupTest.mrv
-69: 
-69: Test
-69: 
-69:  RadicalTests.mrv
-69: 
-69: Test
-69: 
-69:  AnyBond.mrv
-69: 
-69: Test
-69: 
-69:  cisBenzene.mrv
-69: 
-69: Test
-69: 
-69:  DativeBond.mrv
-69: 
-69: Test
-69: 
-69:  MultipleSgroup.mrv
-69: 
-69: Test
-69: 
-69:  SgroupExpanded.mrv
-69: 
-69: Test
-69: 
-69:  SgroupMultAttach.mrv
-69: 
-69: Test
-69: 
-69:  MarvinMissingX2.mrv
-69: 
-69: Test
-69: 
-69:  MarvinMissingY2.mrv
-69: 
-69: Test
-69: 
-69:  DataSgroup.mrv
-69: 
-69: Test
-69: 
-69:  MulticenterSgroup.mrv
-69: 
-69: [12:06:51] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-96: [12:06:51] SMARTS Parse Error: unclosed ring for input: 'CC1'
-96: [12:06:51] SMILES Parse Error: unclosed ring for input: 'CC1'
-96: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [12:06:51] product atom-mapping number 2 not found in reactants.
-70: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-69: [12:06:51] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
-70: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-96: [12:06:51] mapped atoms in the reactants were not mapped in the products.
-96:   unmapped numbers are: 2 
-96: [12:06:51] product atom-mapping number 2 not found in reactants.
-96: [12:06:51] CX Extensions: Substance group hierarchy is not always preserved.
-96: [12:06:51] CX Extensions: Substance group hierarchy is not always preserved.
-70: [12:06:51]  deprecated group abbreviation ignored on line 24
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [12:06:51] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x00007F5C514C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x00007F5C514D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x00007F5C514D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x000055A5179C5CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x000055A517A2C492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x000055A5179AC9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x00007F5C50A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70: 14# 0x000055A5179ACB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-92: Randomness seeded to: 4028968474
-92: ===============================================================================
-92: All tests passed (11480 assertions in 38 test cases)
-92: 
- 79/235 Test  #92: testGenericGroups ......................   Passed    0.94 sec
-test 99
-        Start  99: pyChemReactionSanitize
-
-99: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testSanitize.py"
-99: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemReactions/Wrap
-99: Test timeout computed to be: 1500
-96: [12:06:51] reactant 0 has no mapped atoms.
-96: [12:06:51] product 0 has no mapped atoms.
-96: [12:06:51] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [12:06:51] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-96: [12:06:51] Explicit valence for atom # 1 O, 5, is greater than permitted
-96: ===============================================================================
-96: All tests passed (722 assertions in 30 test cases)
-96: 
- 80/235 Test  #96: rxnTestCatch ...........................   Passed    0.35 sec
-test 100
-        Start 100: testChemTransforms
-
-100: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/testChemTransforms
-100: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
-100: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  GenericSgroup.mrv
-69: 
-69: Test
-69: 
-69:  MonomerSgroup.mrv
-69: 
-69: Test
-69: 
-69:  modification_sgroup.mrv
-69: 
-69: Test
-69: 
-69:  copolymer_sgroup.mrv
-69: 
-69: Test
-69: 
-69:  MultipleSgroupParentInMiddleOfAtomBlock.mrv
-69: 
-69: Test
-69: 
-69:  EmbeddedSgroups.mrv
-69: 
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingMolID.mrv
-69: 
-69: [12:06:51] 
-69: 
-69: ****
-69: Test Assert
-69: Expression Failed: 
-69: Violation occurred on line 329 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
-69: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr
-69: ----------
-69: Stacktrace:
-69:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-69:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-69:  2# 0x000055903F86E99F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  3# 0x000055903F87969C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  4# 0x000055903F866A5D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69:  5# 0x00007F34B4E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-69:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-69:  7# 0x000055903F866BE1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
-69: ----------
-69: ****
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingAtomID.mrv
-69: 
-69: Expected id, elementType for an atom definition in MRV file
-69: Test
-69: 
-69:  MarvinBadX2.mrv
-69: 
-69: The values x2 and y2 must be large floats in MRV file
-69: Test
-69: 
-69:  MarvinBadY2.mrv
-69: 
-69: The values x2 and y2 must be large floats in MRV file
-69: Test
-69: 
-69:  MarvinBadStereoGroupsAbs.mrv
-69: 
-69: Unrecognized group definition
-69: Test
-69: 
-69:  MarvinBadElementType.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondAtomRefs
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingBondOrder.mrv
-69: 
-69: bond must have one of:  order, queryType, or convention in MRV File 
-69: Test
-69: 
-69:  MarvinBadMissingSruMolID.mrv
-69: 
-69: Expected a molID in MRV file
-69: Test
-69: 
-69:  MarvinBadMissingSruID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruRole.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruAtomRef.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadMissingSruTitle.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruID.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruRole.mrv
-69: 
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruAtomRef.mrv
-69: 
-69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
-69: Test
-69: 
-69:  MarvinBadSruConnect.mrv
-69: 
-69: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachBond.mrv
-69: 
-69: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachOrder.mrv
-69: 
-69: Order for an AttachmentPoint definition must be an integer in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupAttachAtom.mrv
-69: 
-69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
-69: Test
-69: 
-69:  MarvinBadSupMissingAttachBond.mrv
-69: 
-69: No attachment point found for bond to the condensed atom in a superatomSgroup
-69: Test
-69: 
-69:  MarvinBadSupMissingAttachOrder.mrv
-69: 
-69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
-100: 1 smi: CC
-100: 1 smi: CC
-100: 2 smi: CCO[C@H](N)P
-100: 2 smi: CC
-100: replaceSub smi1:CCP(CC)[C@@H](N)O
-100: replaceSub smi1:CCNCC
-100: sidechains chiral=true smi1;;; [1*]P([2*])[C@H](N)O
-100: sidechains chiral=false smi1;;; [1*]P([2*])[C@H](N)O
-89: Randomness seeded to: 3994936269
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: [12:06:51] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: [12:06:51] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
-93: 
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: [12:06:51] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: -------------
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-93: CCOc1ccccc1
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-100: [12:06:51] SMARTS Parse Error: syntax error while parsing: bar
-100: [12:06:51] SMARTS Parse Error: Failed parsing SMARTS 'bar' for input: 'bar'
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-95: 30000000 30000000
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-36: [12:06:51] Maximum BFS search size exceeded.
-36: This is likely due to a highly symmetric fused ring system.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
-89: [12:06:51] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
- 81/235 Test #100: testChemTransforms .....................   Passed    0.28 sec
-test 101
-        Start 101: chemTransformsTestCatch
-
-101: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms
-101: Test timeout computed to be: 1500
-36: F/C=C/Cl
-36: [H]/C(F)=C(/[H])Cl
-36: F/C=C/Cl
-36: F/C=C/Cl
-36: C/C(F)=C(/C)Cl
-36: [12:06:51] -----------------------
-36:  Testing isRingFused 
- 82/235 Test  #36: graphmolMolOpsTest .....................   Passed    3.38 sec
-test 102
-        Start 102: tautomerQueryTestCatch
-
-102: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/tautomerQueryTestCatch
-102: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery
-102: Test timeout computed to be: 1500
-70: [12:06:51] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [12:06:51] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-101: Randomness seeded to: 733739457
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055D039D291D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  Cubane.mrv
-69: 
-69: Test
-69: 
-69:  FalseAtropisomer.mrv
-69: 
-69: Test
-69: 
-69:  AtropEnhancedStereo.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChirals.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced2.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced3.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d_chiral.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop5.mrv
-69: 
-69: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-93: [12:06:51] reactant 0 has no mapped atoms.
-93: [12:06:51] product 0 has no mapped atoms.
-93: [12:06:51] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] 
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] 
 101: 
 101: ****
 101: Invariant Violation
@@ -22270,79 +20895,146 @@
 101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
 101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055D039D291D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101:  4# 0x000056054F8601D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
 101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 13# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
 101: ----------
 101: ****
 101: 
- 83/235 Test  #93: testReaction ...........................   Passed    1.15 sec
-test 103
-        Start 103: pyTautomerQuery
+ 63/235 Test #100: testChemTransforms .....................   Passed    0.11 sec
+test 105
+        Start 105: testSubgraphs2
 
-103: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/TautomerQuery/Wrap/rough_test.py"
-103: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/TautomerQuery/Wrap
-103: Test timeout computed to be: 1500
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] 
-101: 
-101: ****
-101: Invariant Violation
-101: molzip: bond info already exists for end atom with label:1
-101: Violation occurred on line 992 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
-101: Failed Expression: !bond.b
-101: ----------
-101: Stacktrace:
-101:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055D039D291D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
-101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: ----------
-101: ****
-101: 
-69: Test
-69: 
-69:  BMS-986142_atrop6.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop7.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop8.mrv
-69: 
-69: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:51] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-97: ...[12:06:51] 
-97: 
-97: ****
-69: Test
-69: 
-69:  BMS-986142_atropBad2.mrv
-69: 
-69: [12:06:51] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] 
+105: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
+105: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+105: Test timeout computed to be: 1500
+84: [20:55:08] Incomplete atom labelling, cannot make bond
+84: [20:55:08] Incomplete atom labelling, cannot make bond
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+70: [20:55:08] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [20:55:08] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [20:55:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+73: [20:55:08] Finished: testGitHub2285()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+73: [20:55:08] ERROR: Smiles parse error on line 1
+73: [20:55:08] ERROR: Cannot create molecule from : 'c1ccccc'
+73: [20:55:08] SMILES Parse Error: extra open parentheses while parsing: C(C
+73: [20:55:08] SMILES Parse Error: check for mistakes around position 2:
+73: [20:55:08] C(C
+73: [20:55:08] ~^
+73: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+73: [20:55:08] ERROR: Smiles parse error on line 3
+73: [20:55:08] ERROR: Cannot create molecule from : 'C(C'
+73: [20:55:08] Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule on line 5
+73: [20:55:08] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+73: [20:55:08] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule ending on line 21
+73: [20:55:08] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule ending on line 21
+73: [20:55:08] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule ending on line 21
+73: [20:55:08] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Atom line too short: '   -9.6' on line 28
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Could not sanitize molecule ending on line 21
+73: [20:55:08] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+73: [20:55:08] ERROR: Atom line too short: '   -9.6' on line 28
+73: [20:55:08] ERROR: moving to the beginning of the next molecule
+73: [20:55:08] Finished: testGitHub2479()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] 
+73: 
+73: ****
+73: Invariant Violation
+73: bad chiral bond
+73: Violation occurred on line 161 in file ./Code/GraphMol/FileParsers/MaeMolSupplier.cpp
+73: Failed Expression: bnd
+73: ----------
+73: Stacktrace:
+73:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+73:  2# 0x00007FDDC9394DAD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  3# RDKit::v2::FileParsers::MaeMolSupplier::next() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+73:  4# 0x00005603F20977CE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  5# 0x00005603F209670B in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73:  6# 0x00007FDDC8833CA8 in /lib/x86_64-linux-gnu/libc.so.6
+73:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+73:  8# 0x00005603F2096981 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/testMolSupplier
+73: ----------
+73: ****
+73: 
+73: [20:55:08] Finished: testGitHub2881()
+73: [20:55:08] -----------------------------------------
+73: 
+73: [20:55:08] -----------------------------------------
+73: [20:55:08] Finished: testGitHub3517()
+73: [20:55:08] -----------------------------------------
+73: 
+47: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+47: [20:55:08] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 Al, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Si, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 P, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 P, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 As, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 As, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 Sb, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 0 Sb, 7, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Bi, 6, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: [20:55:08] Explicit valence for atom # 1 Bi, 8, is greater than permitted
+47: ===============================================================================
+47: All tests passed (4464 assertions in 106 test cases)
+47: 
+104: -----------------------
+104:  Subgraph retrieval
+104: Finished
+104: -----------------------
+104:  testSubgraphs2a
+ 64/235 Test  #66: testDepictor ...........................   Passed    0.36 sec
+ 65/235 Test  #73: testMolSupplier ........................   Passed    0.32 sec
+test 106
+        Start 106: subgraphsCatch
+
+106: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
+106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
+106: Test timeout computed to be: 1500
+test 107
+        Start 107: filterCatalogTest
+
+107: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
+107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
+107: Test timeout computed to be: 1500
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] 
 101: 
 101: ****
 101: Invariant Violation
@@ -22355,114 +21047,21 @@
 101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
 101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055D039D291D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101:  4# 0x000056054F8601D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
 101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 13# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
 101: ----------
 101: ****
 101: 
-97: Pre-condition Violation
-97: getNumImplicitHs() called without preceding call to calcImplicitValence()
-97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
-97: Failed Expression: d_implicitValence > -1
-97: ----------
-97: Stacktrace:
-97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x00007FD1DC53266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x00007FD1DA1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x00007FD1DA1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x00007FD1DA1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x00007FD1DA1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x00007FD1DA1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x00007FD1DC52F406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 47# _PyObject_MakeTpCall in /usr/bin/python3
-97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 49# 0x00000000005BEE79 in /usr/bin/python3
-97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 51# 0x0000000000547080 in /usr/bin/python3
-97: 52# 0x00000000006AB720 in /usr/bin/python3
-97: 53# _PyObject_MakeTpCall in /usr/bin/python3
-97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 55# 0x00000000005BEE79 in /usr/bin/python3
-97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 57# 0x0000000000547080 in /usr/bin/python3
-97: 58# 0x00000000006AB720 in /usr/bin/python3
-97: 59# _PyObject_MakeTpCall in /usr/bin/python3
-97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 61# 0x00000000005BEE79 in /usr/bin/python3
-97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 63# 0x0000000000547080 in /usr/bin/python3
-97: 64# 0x00000000006AB720 in /usr/bin/python3
-97: 65# _PyObject_MakeTpCall in /usr/bin/python3
-97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 67# 0x0000000000595987 in /usr/bin/python3
-97: 68# _PyObject_MakeTpCall in /usr/bin/python3
-97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 70# PyEval_EvalCode in /usr/bin/python3
-97: 71# 0x000000000066A861 in /usr/bin/python3
-97: 72# 0x000000000066670C in /usr/bin/python3
-97: 73# 0x000000000067F713 in /usr/bin/python3
-97: 74# 0x000000000067ECE3 in /usr/bin/python3
-97: 75# 0x000000000067EB1E in /usr/bin/python3
-97: 76# Py_RunMain in /usr/bin/python3
-97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x00007FD1DCF60CA8 in /lib/x86_64-linux-gnu/libc.so.6
-97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-97: 80# _start in /usr/bin/python3
-97: ----------
-97: ****
-97: 
-97: [12:06:51] 
-97: 
-97: ****
-101: [12:06:51] Incomplete atom labelling, cannot make bond
-101: [12:06:51] 
+101: [20:55:08] Incomplete atom labelling, cannot make bond
+101: [20:55:08] 
 101: 
 101: ****
 101: Invariant Violation
@@ -22475,112 +21074,46 @@
 101:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
 101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  4# 0x000055D039D291D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  5# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101:  4# 0x000056054F8601D6 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  5# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
 101: 12# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 13# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 13# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
 101: ----------
 101: ****
 101: 
-97: Pre-condition Violation
-97: getNumImplicitHs() called without preceding call to calcImplicitValence()
-97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
-97: Failed Expression: d_implicitValence > -1
-97: ----------
-97: Stacktrace:
-97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
-97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
-97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
-97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 25# 0x00007FD1DC53266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 36# 0x00007FD1DA1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 37# 0x00007FD1DA1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 38# 0x00007FD1DA1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 39# 0x00007FD1DA1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 40# 0x00007FD1DA1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 46# 0x00007FD1DC52F406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-97: 47# _PyObject_MakeTpCall in /usr/bin/python3
-97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 49# 0x00000000005BEE79 in /usr/bin/python3
-97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 51# 0x0000000000547080 in /usr/bin/python3
-97: 52# 0x00000000006AB720 in /usr/bin/python3
-97: 53# _PyObject_MakeTpCall in /usr/bin/python3
-97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 55# 0x00000000005BEE79 in /usr/bin/python3
-97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 57# 0x0000000000547080 in /usr/bin/python3
-97: 58# 0x00000000006AB720 in /usr/bin/python3
-97: 59# _PyObject_MakeTpCall in /usr/bin/python3
-97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 61# 0x00000000005BEE79 in /usr/bin/python3
-97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 63# 0x0000000000547080 in /usr/bin/python3
-97: 64# 0x00000000006AB720 in /usr/bin/python3
-97: 65# _PyObject_MakeTpCall in /usr/bin/python3
-97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 67# 0x0000000000595987 in /usr/bin/python3
-97: 68# _PyObject_MakeTpCall in /usr/bin/python3
-97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
-97: 70# PyEval_EvalCode in /usr/bin/python3
-97: 71# 0x000000000066A861 in /usr/bin/python3
-97: 72# 0x000000000066670C in /usr/bin/python3
-97: 73# 0x000000000067F713 in /usr/bin/python3
-97: 74# 0x000000000067ECE3 in /usr/bin/python3
-97: 75# 0x000000000067EB1E in /usr/bin/python3
-97: 76# Py_RunMain in /usr/bin/python3
-97: 77# Py_BytesMain in /usr/bin/python3
-97: 78# 0x00007FD1DCF60CA8 in /lib/x86_64-linux-gnu/libc.so.6
-97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-97: 80# _start in /usr/bin/python3
-97: ----------
-97: ****
-97: 
-101: [12:06:51] 
+14: ......
+14: ----------------------------------------------------------------------
+14: Ran 6 tests in 0.004s
+14: 
+14: OK
+104: Finished
+104: -----------------------
+104:  testSubgraphs2
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 7 8 9 10 11 12 13 14 15 16 
+95: 30000000 30000000
+105: -----------------------
+105:  Test1: pathToSubmol
+70: generating smiles
+70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+70: converting back
+84: [20:55:08] Incomplete atom labelling, cannot make bond
+ 66/235 Test  #47: graphmolTestsCatch .....................   Passed    0.54 sec
+101: [20:55:08] 
 101: 
 101: ****
+test 108
+        Start 108: pyFilterCatalog
+
+108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
+108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
+108: Test timeout computed to be: 1500
 101: Invariant Violation
 101: molzip: zipped Bond already exists, perhaps labels are duplicated
 101: Violation occurred on line 735 in file ./Code/GraphMol/ChemTransforms/MolFragmenter.cpp
@@ -22592,193 +21125,32 @@
 101:  2# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&, std::optional<std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
 101:  3# RDKit::molzip(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
 101:  4# RDKit::molzip(RDKit::ROMol const&, RDKit::MolzipParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemTransforms.so.1
-101:  5# 0x000055D039D1E47D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  6# 0x000055D039D7AF28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  7# 0x000055D039D7BA48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  8# 0x000055D039D7BEC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101:  9# 0x000055D039D4D6C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 10# 0x000055D039D4DA2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 11# 0x000055D039D1D67E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
-101: 12# 0x00007F6803630CA8 in /lib/x86_64-linux-gnu/libc.so.6
+101:  5# 0x000056054F85547D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  6# 0x000056054F8B1F28 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  7# 0x000056054F8B2A48 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  8# 0x000056054F8B2EC0 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101:  9# 0x000056054F8846C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 10# 0x000056054F884A2C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 11# 0x000056054F85467E in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 12# 0x00007F46C5033CA8 in /lib/x86_64-linux-gnu/libc.so.6
 101: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-101: 14# 0x000055D039D1D6C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
+101: 14# 0x000056054F8546C1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ChemTransforms/chemTransformsTestCatch
 101: ----------
 101: ****
 101: 
 101: ===============================================================================
 101: All tests passed (674 assertions in 9 test cases)
 101: 
- 84/235 Test #101: chemTransformsTestCatch ................   Passed    0.30 sec
-test 104
-        Start 104: testSubgraphs1
-
-104: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs1
-104: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-104: Test timeout computed to be: 1500
-97: .........[12:06:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [12:06:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [12:06:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: [12:06:51] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
-97: .[12:06:51] product atom-mapping number 1 found multiple times.
-97: [12:06:51] product atom-mapping number 1 found multiple times.
-70: ----------------------------------
-69: Test
-69: 
-69:  JDQ443_3d.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atropBad1.mrv
-69: 
-69: [12:06:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
-70: ----------------------------------
-70: [12:06:52] 
-70: 
-70: ****
-70: Pre-condition Violation
-70: rlabel out of range for MDL files
-70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
-70: Failed Expression: rlabel >= 0 && rlabel < 100
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x000055A5179D309F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x000055A517A2C50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x000055A5179AC9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x00007F5C50A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70:  8# 0x000055A5179ACB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-70: [12:06:52] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-104: -----------------------
-104:  Subgraph retrieval
-104: Finished
-104: -----------------------
-104:  testSubgraphs2a
-69: Test
-69: 
-69:  RP-6306_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop5.mrv
-69: 
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-97: ................[12:06:52] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-97: [12:06:52] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-69: Test
-69: 
-69:  RP-6306_atropBad1.mrv
-69: 
-69: [12:06:52] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-104: Finished
-104: -----------------------
-104:  testSubgraphs2
-69: Test
-69: 
-69:  RP-6306_atropBad2.mrv
-69: 
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
-97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
-97: [12:06:52] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 3 
-97: ..[12:06:52] reactant 2 has no mapped atoms.
-97: [12:06:52] reactant 2 has no mapped atoms.
-97: [12:06:52] product 1 has no mapped atoms.
-97: ........[12:06:52] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
-97: [12:06:52] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
-97: .[12:06:52] reactant atom-mapping number 1 found multiple times.
-97: [12:06:52] product atom-mapping number 2 not found in reactants.
-97: [12:06:52] mapped atoms in the reactants were not mapped in the products.
-97:   unmapped numbers are: 4 
-97: [12:06:52] product atom-mapping number 5 not found in reactants.
-104: Finished
-104: -----------------------
-104:  Path retrieval
-104: Finished
-104: -----------------------
-104:  Path retrieval2
-104: Finished
-104: -----------------------
-104:  Unique Subgraph retrieval
-104: Finished
-104: -----------------------
-104:  testUniqueSubgraphs2
-69: Test
-69: 
-69:  RP-6306_3d.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop5.mrv
-69: 
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:52] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-102: Randomness seeded to: 2193489950
-102: ===============================================================================
-102: All tests passed (93 assertions in 13 test cases)
-102: 
- 85/235 Test #102: tautomerQueryTestCatch .................   Passed    0.57 sec
-test 105
-        Start 105: testSubgraphs2
-
-105: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/testSubgraphs2
-105: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-105: Test timeout computed to be: 1500
-105: -----------------------
-105:  Test1: pathToSubmol
+13: ......
+13: ----------------------------------------------------------------------
+13: Ran 6 tests in 0.015s
+13: 
+13: OK
+15: .........
+15: ----------------------------------------------------------------------
+15: Ran 9 tests in 0.015s
+15: 
+15: OK
 105: Finished
 105: -----------------------
 105:  Test2: Atom Environments
@@ -22792,85 +21164,834 @@
 105: -----------------------
 105:  Testing github Issue103: more stereochemistry and pathToSubmol (path needs to be in sorted order)
 105: Finished
- 86/235 Test #105: testSubgraphs2 .........................   Passed    0.04 sec
-test 106
-        Start 106: subgraphsCatch
+70: check isomorphism
+ 67/235 Test #101: chemTransformsTestCatch ................   Passed    0.13 sec
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+61: Randomness seeded to: 3373455594
+61: Test
+61: 
+61:  ShortAtropisomerNoCoords.cxsmi
+61: 
+61: Test
+61: 
+61:  ShortAtropisomer.cxsmi
+61: 
+61: Test
+61: 
+61:  ShortAtropisomerArom.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChirals.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced2.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced3.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropManyChiralsEnhanced4.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d_chiral.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atrop5.cxsmi
+61: 
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+test 109
+        Start 109: testFragCatalog
 
-106: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs/subgraphsCatch
-106: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Subgraphs
-106: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  Sotorasib_atropBad1.mrv
-69: 
-69: [12:06:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-106: Randomness seeded to: 485710067
+109: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog
+109: Test timeout computed to be: 1500
+ 68/235 Test #105: testSubgraphs2 .........................   Passed    0.04 sec
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+25: .....
+25: ----------------------------------------------------------------------
+25: Ran 5 tests in 0.004s
+25: 
+25: OK
+25: Testing Alignment Wrapper code:
+test 110
+        Start 110: pyFragCatalog
+
+110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
+110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
+110: Test timeout computed to be: 1500
+16: .........
+16: ----------------------------------------------------------------------
+16: Ran 9 tests in 0.014s
+16: 
+16: OK
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+84: [20:55:08] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [20:55:08] Failed to parse XML fragment 5 node: n attribute: id: mydoghasfleas
+84: [20:55:08] Failed to parse XML fragment 5 node: b attribute: Order: slartibartfast
+84: [20:55:08] Failed to parse XML fragment 5 node: b attribute: Order: 5
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+106: Randomness seeded to: 2549058710
 106: ---------
 106: ===============================================================================
 106: All tests passed (11 assertions in 1 test case)
 106: 
- 87/235 Test #106: subgraphsCatch .........................   Passed    0.03 sec
-97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
-97:   png = open(fname, 'rb').read()
-97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 34
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 36
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 38
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 40
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 42
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 87
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 89
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 91
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 93
-97: [12:06:52] Found a SCD/SED line with missing/empty SDT specification at line 95
-97: ..[12:06:52] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-99: .[12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: .[12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
+93: [20:55:08] product atom-mapping number 17 not found in reactants.
+93: [20:55:08] product atom-mapping number 18 not found in reactants.
+93: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+93:   unmapped numbers are: 12 
+ 69/235 Test #106: subgraphsCatch .........................   Passed    0.04 sec
+test 111
+        Start 111: testDescriptors
+
+111: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
+111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+111: Test timeout computed to be: 1500
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+84: [20:55:08] Invalid or missing fragment id from CDXML fragment, assigning new one...
+ 70/235 Test  #14: pyRealValueVect ........................   Passed    0.70 sec
+test 112
+        Start 112: testAUTOCORR2D
+
+112: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
+112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+112: Test timeout computed to be: 1500
+32: ......
+32: ----------------------------------------------------------------------
+32: Ran 6 tests in 0.002s
+32: 
+32: OK
+36: [20:55:08] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
+84: ===============================================================================
+84: All tests passed (263 assertions in 7 test cases)
+84: 
+ 71/235 Test  #84: cdxmlParserCatchTest ...................   Passed    0.30 sec
+test 113
+        Start 113: testATF
+
+113: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF
+113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+113: Test timeout computed to be: 1500
+81: [20:55:08] ERROR: molecules without atoms cannot be exported to Maestro files.
+81: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+81: [20:55:08] ERROR: the mol cannot be kekulized, and will not be written to the output file.
+81: [20:55:08] ERROR: Bond 0 has a type that is not supported by maeparser. The mol will not be written to the output file.
+81: [20:55:08] WARNING: atom 1 in input Maestro file has atomic number '0', which is reserved for internal use, and not allowed in inputs. The atom will be ignored.[20:55:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+90:  done
+90:  hits2: 1111110111111111111111011111100011011011111101010111011110111101111111111111111111111011111011111110
+90: processing2
+90:  launch2 :0
+90:  launch2 :1
+90:  launch2 :2
+90:  launch2 :3
+ 72/235 Test  #15: pySparseIntVect ........................   Passed    0.71 sec
+81: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+81: [20:55:08] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+81: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 114
+        Start 114: testBCUT
+
+114: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
+114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+114: Test timeout computed to be: 1500
+61: Test
+61: 
+61:  BMS-986142_atrop6.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Crippen parameter acquisition.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Crippen calculation.
+21: ....................
+21: ----------------------------------------------------------------------
+21: Ran 20 tests in 0.067s
+21: 
+21: OK
+21: Testing Geometry wrapper
+104: Finished
+104: -----------------------
+104:  Path retrieval
+104: Finished
+104: -----------------------
+104:  Path retrieval2
+104: Finished
+104: -----------------------
+104:  Unique Subgraph retrieval
+104: Finished
+104: -----------------------
+104:  testUniqueSubgraphs2
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 6 7
+90:  done
+90:  preprocessing 3
+90:  hits3: 1110100011001000010011100110100011011000010101000100110010101111011100101000001111110000010100100110
+90: processing3
+90:  launch3 :0
+90:  launch3 :1
+90:  launch3 :2
+90:  launch3 :3
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+112: [20:55:08] ----------------------------
+112: start test autocorr2D
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: Test
+61: 
+61:  BMS-986142_atropBad2.cxsmi
+61: 
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+71: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+ 73/235 Test  #25: pyAlignment ............................   Passed    0.71 sec
+test 115
+        Start 115: testEEM
+
+115: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
+115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+115: Test timeout computed to be: 1500
+ 74/235 Test  #16: pyFPB ..................................   Passed    0.74 sec
+test 116
+        Start 116: testPBF
+
+116: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
+116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+116: Test timeout computed to be: 1500
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Issue262: problems with Crippen calculation from pickles.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test AMW calculation.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Exact MW calculation.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Labute ASA descriptors.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test TPSA descriptors.
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+ 75/235 Test  #13: pyDiscreteValueVect ....................   Passed    0.75 sec
+114: [20:55:08] -------------------------------------
+114: [20:55:08]     Basic BCUT tests.
+ 76/235 Test  #32: pyDistGeom .............................   Passed    0.71 sec
+109:  21
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 6 7
+test 117
+        Start 117: testRDFcustom
+
+117: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
+117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+117: Test timeout computed to be: 1500
+test 118
+        Start 118: testRDF
+
+118: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
+118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+118: Test timeout computed to be: 1500
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 77/235 Test #113: testATF ................................   Passed    0.06 sec
+test 119
+        Start 119: testMORSE
+
+119: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
+119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+119: Test timeout computed to be: 1500
+89: Randomness seeded to: 324375387
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+114: [20:55:08]   done
+114: [20:55:08] -------------------------------------
+114: [20:55:08]     Larger BCUT tests.
+ 78/235 Test  #21: testPyGeometry .........................   Passed    0.75 sec
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+test 120
+        Start 120: test3D
+
+120: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D
+120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+120: Test timeout computed to be: 1500
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+93: [20:55:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: [20:55:08] Reaction has explicit hydrogens, reactants will need explicit hydrogens (addHs)
+93: 
+93: [20:55:08] Mismatched potential rlabels: 1 unmapped reactant dummy atom rlabels,0 unmappped product dummy atom rlabels
+116: [20:55:08] -------------------------------------
+116: [20:55:08]     Basic PBF tests.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+93: -------------
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+93: CCOc1ccccc1
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+2: ....
+2: ----------------------------------------------------------------------
+2: Ran 4 tests in 0.042s
+2: 
+2: OK
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     Basic PMI tests.
+107: Warning: molecule failed filter 
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+107: Warning: molecule failed filter: reason hzone_phenol_A(479)
+107: v = { 
+107: 	0,23},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	1,22},
+107: 	2,20},
+107: 	3,19},
+107: 	4,25},
+107: 	5,24},
+107: 	6,18},
+107: 	7,17},
+107: 	8,16},
+107: 	9,21},
+107: }
+107: match = { 
+107: 	0,23},
+107: 	1,22},
+107: 	2,20},
+107: 	3,19},
+107: 	4,25},
+107: 	5,24},
+107: 	6,18},
+107: 	7,17},
+107: 	8,16},
+107: 	9,21},
+107: }
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: Warning: molecule failed filter 
+107: Warning: molecule failed filter: reason cyano_imine_B(17)
+107: v = { 
+107: 	0,11},
+107: 	1,12},
+107: 	2,13},
+107: 	3,14},
+107: 	4,15},
+107: 	5,10},
+107: 	6,9},
+107: 	7,8},
+107: 	8,7},
+107: 	9,6},
+107: 	10,5},
+107: 	11,17},
+107: 	12,16},
+107: }
+107: match = { 
+107: 	0,11},
+107: 	1,12},
+107: 	2,13},
+107: 	3,14},
+107: 	4,15},
+107: 	5,10},
+107: 	6,9},
+107: 	7,8},
+107: 	8,7},
+107: 	9,6},
+107: 	10,5},
+107: 	11,17},
+107: 	12,16},
+107: }
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: =>start test EEM
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+102: Randomness seeded to: 584310066
+102: ===============================================================================
+102: All tests passed (93 assertions in 13 test cases)
+102: 
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: Warning: molecule failed filter 
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+115: 0
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+107: Warning: molecule failed filter: reason keto_keto_gamma(5)
+107: v = { 
+107: 	0,0},
+107: 	1,1},
+107: 	2,2},
+107: 	3,4},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	4,5},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	5,6},
+107: 	6,7},
+107: 	7,8},
+107: 	8,9},
+107: 	9,14},
+107: 	10,15},
+107: 	11,16},
+107: }
+107: match = { 
+107: 	0,0},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	1,1},
+107: 	2,2},
+107: 	3,4},
+107: 	4,5},
+107: 	5,6},
+107: 	6,7},
+107: 	7,8},
+107: 	8,9},
+107: 	9,14},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	10,15},
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+107: 	11,16},
+107: }
+ 79/235 Test #102: tautomerQueryTestCatch .................   Passed    0.26 sec
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+test 121
+        Start 121: testWHIM
+
+121: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
+121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+121: Test timeout computed to be: 1500
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+89: [20:55:08] Read callback exception: I'm Sorry Dave. I'm afraid I can't do that.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Lipinski parameters.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: Test
+61: 
+61:  JDQ443_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  JDQ443_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+30: ...[20:55:08] Molecule does not have explicit Hs. Consider calling AddHs()
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 3
+71: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 80/235 Test   #2: pyCoordGen .............................   Passed    0.85 sec
+test 122
+        Start 122: testGETAWAY
+
+122: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
+122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+122: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: [20:55:08] == testCartesianProduct
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90:  done
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test GitHub issue 15
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test GitHub issue 409
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test chiral matching
+91: Randomness seeded to: 838977502
+91: ===============================================================================
+91: All tests passed (242 assertions in 12 test cases)
+91: 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test GitHub issue 688: partially specified chiral substructure queries don't work properly
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 81/235 Test  #91: substructTestCatch .....................   Passed    0.37 sec
+test 123
+        Start 123: testAUTOCORR3D
+
+123: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
+123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
+123: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test dative-bond matching
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test cis/trans matching
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Test cis/trans matching part 2
+98: .[20:55:08] == testEnumerateLibrary
+90: [20:55:08]   done
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Testing Github #1389: Substructure matching with chirality failure when query is built from SMARTS
+90: [20:55:08]   done
+99: .[20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
+98:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
+98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
+99: .[20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+97: ...[20:55:08] 
+97: 
+97: ****
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
 99: ()
 99: ********************************************
 99: $RXN
@@ -23234,22 +22355,16 @@
 99:   1  2  1  0
 99: M  ISO  2   1   1   2   2
 99: M  END
-99: [12:06:52] reactant 0 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] product 0 has no mapped atoms.
-99: [12:06:52] Could not find RLabel mapping for atom: 0 in template: 1
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-99: [12:06:52] reactant 1 has no mapped atoms.
-test 107
-        Start 107: filterCatalogTest
-
-107: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/filterCatalogTest
-107: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog
-107: Test timeout computed to be: 1500
+99: [20:55:08] reactant 0 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] product 0 has no mapped atoms.
+99: [20:55:08] Could not find RLabel mapping for atom: 0 in template: 1
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
+99: [20:55:08] reactant 1 has no mapped atoms.
 99: ..
 99: ----------------------------------------------------------------------
-99: Ran 4 tests in 0.048s
+99: Ran 4 tests in 0.027s
 99: 
 99: OK
 99: 
@@ -23306,1747 +22421,612 @@
 99: M  END
 99: 
 99: $RXN Failed
-69: Test
-69: 
-69:  Sotorasib_atropBad2.mrv
-69: 
-69: [12:06:52] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-97: [12:06:52] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [12:06:52] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-97: [12:06:52] reaction has no reactants
-97: [12:06:52] reaction has no products
-97: [12:06:52] initialization failed
-97: [12:06:52] reaction has no reactants
-97: [12:06:52] reaction has no products
-98: [12:06:52] == testCartesianProduct
-97: .[12:06:52] SMARTS Parse Error: syntax error while parsing: boromicacid
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
-97: [12:06:52] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
-97: [12:06:52] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
-97: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
-98: .[12:06:52] == testEnumerateLibrary
-97: [12:06:52] reaction has no reactants
-97: [12:06:52] reaction has no products
-97: [12:06:52] initialization failed
-97: [12:06:52] reaction has no reactants
-97: [12:06:52] reaction has no products
-97: .
-97: ----------------------------------------------------------------------
-97: Ran 54 tests in 0.700s
+90: [20:55:08] -------------------------------------
+90: [20:55:08]     Testing matching E/Z against Cis/Trans stereo bonds
+90: [20:55:08] 
+90: 
+90: ****
+90: Pre-condition Violation
+90: matches must not be empty
+90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+90: Failed Expression: !matches.empty()
+90: ----------
+90: Stacktrace:
+90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  3# RDKit::getMostSubstitutedCoreMatch(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  4# 0x00005590A20AD42D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x00005590A209DC91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x00007FC7C0E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+90:  8# 0x00005590A209DDD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: ----------
+90: ****
+90: 
+90: [20:55:08] 
+90: 
+90: ****
+90: Pre-condition Violation
+90: matches must not be empty
+90: Violation occurred on line 44 in file ./Code/GraphMol/Substruct/SubstructUtils.cpp
+90: Failed Expression: !matches.empty()
+90: ----------
+90: Stacktrace:
+90:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+90:  2# RDKit::detail::ScoreMatchesByDegreeOfCoreSubstitution::ScoreMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  3# RDKit::sortMatchesByDegreeOfCoreSubstitution(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+90:  4# 0x00005590A2098420 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  5# 0x00005590A209DC91 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90:  6# 0x00007FC7C0E33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+90:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+90:  8# 0x00005590A209DDD1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Substruct/testSubstructMatch
+90: ----------
+90: ****
+90: 
+90: [20:55:08] -------------------------------------
+90: [20:55:08] Test substructure matching with a pathological case for symmetric SSSR
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: Pre-condition Violation
+97: getNumImplicitHs() called without preceding call to calcImplicitValence()
+97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
+97: Failed Expression: d_implicitValence > -1
+97: ----------
+97: Stacktrace:
+97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x00007F8CC264B66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x00007F8CC03B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x00007F8CC03B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x00007F8CC03B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x00007F8CC03B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x00007F8CC03B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x00007F8CC2648406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 47# _PyObject_MakeTpCall in /usr/bin/python3
+97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 49# 0x00000000005BEE79 in /usr/bin/python3
+97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 51# 0x0000000000547080 in /usr/bin/python3
+97: 52# 0x00000000006AB720 in /usr/bin/python3
+97: 53# _PyObject_MakeTpCall in /usr/bin/python3
+97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 55# 0x00000000005BEE79 in /usr/bin/python3
+97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 57# 0x0000000000547080 in /usr/bin/python3
+97: 58# 0x00000000006AB720 in /usr/bin/python3
+97: 59# _PyObject_MakeTpCall in /usr/bin/python3
+97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 61# 0x00000000005BEE79 in /usr/bin/python3
+97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 63# 0x0000000000547080 in /usr/bin/python3
+97: 64# 0x00000000006AB720 in /usr/bin/python3
+97: 65# _PyObject_MakeTpCall in /usr/bin/python3
+97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 67# 0x0000000000595987 in /usr/bin/python3
+97: 68# _PyObject_MakeTpCall in /usr/bin/python3
+97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 70# PyEval_EvalCode in /usr/bin/python3
+97: 71# 0x000000000066A861 in /usr/bin/python3
+97: 72# 0x000000000066670C in /usr/bin/python3
+97: 73# 0x000000000067F713 in /usr/bin/python3
+97: 74# 0x000000000067ECE3 in /usr/bin/python3
+97: 75# 0x000000000067EB1E in /usr/bin/python3
+97: 76# Py_RunMain in /usr/bin/python3
+97: 77# Py_BytesMain in /usr/bin/python3
+97: 78# 0x00007F8CC3050CA8 in /lib/x86_64-linux-gnu/libc.so.6
+97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+97: 80# _start in /usr/bin/python3
+97: ----------
+97: ****
 97: 
-97: OK
-97: ********************************************
-97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
-97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7fd1d826b920>
-98: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testEnumerations.py:266: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/enumeration.pickle'>
-98:   open(os.path.join(self.dataDir, "enumeration.pickle"), 'rb').read())
-98: ResourceWarning: Enable tracemalloc to get the object allocation traceback
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason hzone_phenol_A(479)
-107: v = { 
-107: 	0,23},
-107: 	1,22},
-107: 	2,20},
-107: 	3,19},
-107: 	4,25},
-107: 	5,24},
-107: 	6,18},
-107: 	7,17},
-107: 	8,16},
-107: 	9,21},
-107: }
-107: match = { 
-107: 	0,23},
-107: 	1,22},
-107: 	2,20},
-107: 	3,19},
-107: 	4,25},
-107: 	5,24},
-107: 	6,18},
-107: 	7,17},
-107: 	8,16},
-107: 	9,21},
-107: }
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason cyano_imine_B(17)
-107: v = { 
-107: 	0,11},
-107: 	1,12},
-107: 	2,13},
-107: 	3,14},
-107: 	4,15},
-107: 	5,10},
-107: 	6,9},
-107: 	7,8},
-107: 	8,7},
-107: 	9,6},
-107: 	10,5},
-107: 	11,17},
-107: 	12,16},
-107: }
-107: match = { 
-107: 	0,11},
-107: 	1,12},
-107: 	2,13},
-107: 	3,14},
-107: 	4,15},
-107: 	5,10},
-107: 	6,9},
-107: 	7,8},
-107: 	8,7},
-107: 	9,6},
-107: 	10,5},
-107: 	11,17},
-107: 	12,16},
-107: }
-107: Warning: molecule failed filter 
-107: Warning: molecule failed filter: reason keto_keto_gamma(5)
-107: v = { 
-107: 	0,0},
-107: 	1,1},
-107: 	2,2},
-107: 	3,4},
-107: 	4,5},
-107: 	5,6},
-107: 	6,7},
-107: 	7,8},
-107: 	8,9},
-107: 	9,14},
-107: 	10,15},
-107: 	11,16},
-107: }
-107: match = { 
-107: 	0,0},
-107: 	1,1},
-107: 	2,2},
-107: 	3,4},
-107: 	4,5},
-107: 	5,6},
-107: 	6,7},
-107: 	7,8},
-107: 	8,9},
-107: 	9,14},
-107: 	10,15},
-107: 	11,16},
-107: }
-69: Test
-69: 
-69:  Sotorasib_3d.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atropBad1.mrv
-69: 
-69: [12:06:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-98: ..[12:06:52] == testRGroupState
-98: .[12:06:52] == testRandomEnumerateAllBBsLibrary
-98: ** [1, 1]
-98: ** [0, 2]
-98: ** [1, 0]
-69: Test
-69: 
-69:  mrtx1719_3d.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atropBad1.mrv
-69: 
-69: [12:06:52] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-98: .[12:06:52] == testRandomEnumerateLibrary
-89: [12:06:52] Explicit valence for atom # 9 N, 6, is greater than permitted
- 88/235 Test  #99: pyChemReactionSanitize .................   Passed    1.45 sec
-test 108
-        Start 108: pyFilterCatalog
-
-108: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FilterCatalog/Wrap/rough_test.py"
-108: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FilterCatalog/Wrap
-108: Test timeout computed to be: 1500
-70: [12:06:52] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [12:06:52] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-98: .[12:06:52] == testRandomSample
-98: .[12:06:52] == testRandomSampleAllBBs
-104: Finished
-104: -----------------------
-104:  testRootedSubgraphs
-104: Finished
-104: -----------------------
-104:  testRootedPaths
-104: Finished
- 89/235 Test #104: testSubgraphs1 .........................   Passed    0.88 sec
-test 109
-        Start 109: testFragCatalog
-
-109: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog
-109: Test timeout computed to be: 1500
-98: .[12:06:52]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: [12:06:52]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
-98: .[12:06:52] == testRemoveBadMatches
-98: .[12:06:52] == testTimings
- 90/235 Test  #97: pyChemReactions ........................   Passed    1.72 sec
-test 110
-        Start 110: pyFragCatalog
-
-110: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FragCatalog/Wrap/rough_test.py"
-110: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/Wrap
-110: Test timeout computed to be: 1500
-103: .....
-103: ----------------------------------------------------------------------
-103: Ran 5 tests in 0.201s
-103: 
-103: OK
-70: [12:06:52] Empty atom list: 'M  ALS   1  0 F' on line 8.
-70: de_DE.UTF-8
-70: [12:06:52] -------------------------------------
-70: [12:06:52]     Test multithreading Locale Switching
-109:  21
- 91/235 Test #103: pyTautomerQuery ........................   Passed    1.22 sec
-test 111
-        Start 111: testDescriptors
-
-111: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testDescriptors
-111: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-111: Test timeout computed to be: 1500
-70: [12:06:53]     Test multithreading (Done)
-70: [12:06:53] -------------------------------------
- 92/235 Test #107: filterCatalogTest ......................   Passed    0.65 sec
-test 112
-        Start 112: testAUTOCORR2D
-
-112: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR2D
-112: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-112: Test timeout computed to be: 1500
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Crippen parameter acquisition.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Crippen calculation.
-70: ***************************************
-70: ***************************************
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Issue262: problems with Crippen calculation from pickles.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test AMW calculation.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Exact MW calculation.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Labute ASA descriptors.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test TPSA descriptors.
-70: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [12:06:53] Explicit valence for atom # 3 Al, 6, is greater than permitted
-69: Test
-69: 
-69:  FalseAtropisomer.mrv
-69: 
-69: Test
-69: 
-69:  AtropEnhancedStereo.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChirals.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced2.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced3.mrv
-69: 
-69: Test
-69: 
-69:  AtropManyChiralsEnhanced4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d_chiral.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_3d.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop5.mrv
-69: 
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-70: [12:06:53] bond with order 0 found on line 7. This is not part of the MDL specification.
-112: [12:06:53] ----------------------------
-112: start test autocorr2D
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Lipinski parameters.
-70: [12:06:53] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
-70: [12:06:53] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
-70: [12:06:53] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-69: Test
-69: 
-69:  BMS-986142_atrop6.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop7.mrv
-69: 
-69: Test
-69: 
-69:  BMS-986142_atrop8.mrv
-69: 
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: Test
-69: 
-69:  BMS-986142_atropBad2.mrv
-69: 
-69: [12:06:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
-70: generating smiles
-70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
-70: converting back
-70: check isomorphism
-89: [12:06:53] Explicit valence for atom # 4 Al, 6, is greater than permitted
-89: [12:06:53] Explicit valence for atom # 10 Si, 6, is greater than permitted
-69: Test
-69: 
-69:  JDQ443_3d.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  JDQ443_atropBad1.mrv
-69: 
-69: [12:06:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+97: [20:55:08] 
+97: 
+97: ****
+97: Pre-condition Violation
+97: getNumImplicitHs() called without preceding call to calcImplicitValence()
+97: Violation occurred on line 302 in file ./Code/GraphMol/Atom.cpp
+97: Failed Expression: d_implicitValence > -1
+97: ----------
+97: Stacktrace:
+97:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+97:  2# RDKit::Atom::getNumImplicitHs() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  3# RDKit::Atom::getTotalNumHs(bool) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  4# Queries::EqualityQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSmilesParse.so.1
+97:  5# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  6# Queries::AndQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  7# Queries::OrQuery<int, RDKit::Atom const*, true>::Match(RDKit::Atom const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+97:  8# RDKit::atomCompat(RDKit::Atom const*, RDKit::Atom const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97:  9# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 10# bool boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::MatchAll<std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(unsigned int*, unsigned int*, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 11# bool boost::vf2_all<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS>, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > > >(boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const&, RDKit::detail::AtomLabelFunctor&, RDKit::detail::BondLabelFunctor&, RDKit::MolMatchFinalCheckFunctor&, std::vector<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > >, std::allocator<std::vector<std::pair<unsigned long, unsigned long>, std::allocator<std::pair<unsigned long, unsigned long> > > > >&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 12# RDKit::detail::RecursiveMatcher(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<int, std::allocator<int> >&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, RDKit::SubstructMatchParameters const&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 13# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 14# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 15# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 16# RDKit::detail::MatchSubqueries(RDKit::ROMol const&, Queries::Query<int, RDKit::Atom const*, true>*, RDKit::SubstructMatchParameters const&, std::map<unsigned int, Queries::Query<int, RDKit::Atom const*, true>*, std::less<unsigned int>, std::allocator<std::pair<unsigned int const, Queries::Query<int, RDKit::Atom const*, true>*> > >&, std::vector<RDKit::RecursiveStructureQuery*, std::allocator<RDKit::RecursiveStructureQuery*> >&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 17# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
+97: 18# RDKit::ReactionRunnerUtils::getReactantMatchesToTemplate(RDKit::ROMol const&, RDKit::ROMol const&, unsigned int, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 19# RDKit::ReactionRunnerUtils::getReactantMatches(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, RDKit::ChemicalReaction const&, std::vector<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > >, std::allocator<std::vector<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >, std::allocator<std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > > > > > >&, unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 20# RDKit::run_Reactants(RDKit::ChemicalReaction const&, std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > > const&, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 21# RDKit::ChemicalReaction::runReactants(std::vector<boost::shared_ptr<RDKit::ROMol>, std::allocator<boost::shared_ptr<RDKit::ROMol> > >, unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitChemReactions.so.1
+97: 22# _object* RDKit::RunReactants<boost::python::tuple>(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 23# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDKit::ChemicalReaction*, boost::python::tuple, unsigned int), boost::python::default_call_policies, boost::mpl::vector4<_object*, RDKit::ChemicalReaction*, boost::python::tuple, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 24# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 25# 0x00007F8CC264B66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 26# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+97: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+97: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 30# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+97: 31# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+97: 32# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 33# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+97: 34# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+97: 35# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 36# 0x00007F8CC03B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 37# 0x00007F8CC03B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 38# 0x00007F8CC03B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 39# 0x00007F8CC03B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 40# 0x00007F8CC03B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+97: 41# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 42# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 43# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 44# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+97: 45# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 46# 0x00007F8CC2648406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+97: 47# _PyObject_MakeTpCall in /usr/bin/python3
+97: 48# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 49# 0x00000000005BEE79 in /usr/bin/python3
+97: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 51# 0x0000000000547080 in /usr/bin/python3
+97: 52# 0x00000000006AB720 in /usr/bin/python3
+97: 53# _PyObject_MakeTpCall in /usr/bin/python3
+97: 54# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 55# 0x00000000005BEE79 in /usr/bin/python3
+97: 56# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 57# 0x0000000000547080 in /usr/bin/python3
+97: 58# 0x00000000006AB720 in /usr/bin/python3
+97: 59# _PyObject_MakeTpCall in /usr/bin/python3
+97: 60# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 61# 0x00000000005BEE79 in /usr/bin/python3
+97: 62# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 63# 0x0000000000547080 in /usr/bin/python3
+97: 64# 0x00000000006AB720 in /usr/bin/python3
+97: 65# _PyObject_MakeTpCall in /usr/bin/python3
+97: 66# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 67# 0x0000000000595987 in /usr/bin/python3
+97: 68# _PyObject_MakeTpCall in /usr/bin/python3
+97: 69# _PyEval_EvalFrameDefault in /usr/bin/python3
+97: 70# PyEval_EvalCode in /usr/bin/python3
+97: 71# 0x000000000066A861 in /usr/bin/python3
+97: 72# 0x000000000066670C in /usr/bin/python3
+97: 73# 0x000000000067F713 in /usr/bin/python3
+97: 74# 0x000000000067ECE3 in /usr/bin/python3
+97: 75# 0x000000000067EB1E in /usr/bin/python3
+97: 76# Py_RunMain in /usr/bin/python3
+97: 77# Py_BytesMain in /usr/bin/python3
+97: 78# 0x00007F8CC3050CA8 in /lib/x86_64-linux-gnu/libc.so.6
+97: 79# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+97: 80# _start in /usr/bin/python3
+97: ----------
+97: ****
+97: 
+90: [20:55:08] -------------------------------------
+90: [20:55:08] Test isAtomTerminalRGroupOrQueryHydrogen
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 61: Test
 61: 
-61:  AtropCanon1.cxsmi
+61:  RP-6306_atrop1.cxsmi
 61: 
 61: Test
 61: 
-61:  AtropCanon2.cxsmi
+61:  RP-6306_atrop2.cxsmi
 61: 
 61: Test
 61: 
-61:  AtropCanon3.cxsmi
+61:  RP-6306_atrop3.cxsmi
 61: 
 61: Test
 61: 
-61:  BMS-986142_3d_chiral.cxsmi
+61:  RP-6306_atrop4.cxsmi
 61: 
 61: Test
 61: 
-61:  BMS-986142_3d.cxsmi
-61: 
-61: ===============================================================================
-61: All tests passed (2445 assertions in 29 test cases)
+61:  RP-6306_atrop5.cxsmi
 61: 
- 93/235 Test  #61: cxsmilesTest ...........................   Passed    4.51 sec
-test 113
-        Start 113: testATF
-
-113: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testATF
-113: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-113: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  RP-6306_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  RP-6306_atrop5.mrv
-69: 
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
- 94/235 Test #113: testATF ................................   Passed    0.08 sec
-test 114
-        Start 114: testBCUT
-
-114: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testBCUT
-114: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-114: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  RP-6306_atropBad1.mrv
-69: 
-69: [12:06:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
-69: Test
-69: 
-69:  RP-6306_atropBad2.mrv
-69: 
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
-69: [12:06:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
-114: [12:06:53] -------------------------------------
-114: [12:06:53]     Basic BCUT tests.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test VSA descriptors.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test molecular formula calculation.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Issue 3415534.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test Issue3433771: Bad definition for Crippen atom type O11.
-111: [12:06:53]   done
-111: [12:06:53] -------------------------------------
-111: [12:06:53]     Test multithreading
-111: reading molecules
-108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
-108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
-114: [12:06:53]   done
-114: [12:06:53] -------------------------------------
-114: [12:06:53]     Larger BCUT tests.
-111: processing
-111:  launch :0
-111:  launch :1
-111:  launch :2
-111:  launch :3
-89: [12:06:53] Explicit valence for atom # 2 O, 4, is greater than permitted
-112: [12:06:53]   done
-112: [12:06:53] -------------------------------------
-112: [12:06:53]     Test Github #3806: NaNs from AUTOCORR2D descriptor
-112: [12:06:53]   done
- 95/235 Test #112: testAUTOCORR2D .........................   Passed    0.71 sec
-test 115
-        Start 115: testEEM
-
-115: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testEEM
-115: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-115: Test timeout computed to be: 1500
-69: Test
-69: 
-69:  RP-6306_3d.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop4.mrv
-69: 
-69: Test
-69: 
-69:  Sotorasib_atrop5.mrv
-69: 
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: [12:06:53] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-69: Test
-69: 
-69:  Sotorasib_atropBad1.mrv
-69: 
-69: [12:06:53] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
-89: [12:06:53] Explicit valence for atom # 3 Be, 4, is greater than permitted
-89: [12:06:53] Explicit valence for atom # 3 Al, 6, is greater than permitted
-69: Test
-69: 
-69:  Sotorasib_atropBad2.mrv
-69: 
-69: [12:06:53] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
-115: =>start test EEM
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 0
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-89: [12:06:53] Explicit valence for atom # 27 P, 6, is greater than permitted
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-110: .........
-110: ----------------------------------------------------------------------
-110: Ran 9 tests in 0.189s
-110: 
-110: OK
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:53] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-69: Test
-69: 
-69:  Sotorasib_3d.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  ZM374979_atropBad1.mrv
-69: 
-69: [12:06:54] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 96/235 Test #110: pyFragCatalog ..........................   Passed    1.25 sec
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-test 116
-        Start 116: testPBF
-
-116: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testPBF
-116: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-116: Test timeout computed to be: 1500
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [12:06:54] -------------------------------------
-116: [12:06:54]     Basic PBF tests.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-69: Test
-69: 
-69:  mrtx1719_3d.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop1.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop2.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atrop3.mrv
-69: 
-69: Test
-69: 
-69:  mrtx1719_atropBad1.mrv
-69: 
-69: [12:06:54] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 100
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-69: Test
-69: 
-69:  AlexRxn.mrv
-69: 
-69: Test
-69: 
-69:  BadReactionSign.mrv
-69: 
-69: Test
-69: 
-69:  bondArray_node.mrv
-69: 
-69: Test
-69: 
-69:  marvin03.mrv
-69: 
-69: Test
-69: 
-69:  marvin04.mrv
-69: 
-69: Test
-69: 
-69:  marvin08.mrv
-69: 
-69: Test
-69: 
-69:  marvin09.mrv
-69: 
-69: Test
-69: 
-69:  marvin11.mrv
-69: 
-69: Test
-69: 
-69:  marvin05.mrv
-69: 
-69: Test
-69: 
-69:  EmptyRxn.mrv
-69: 
-69: [12:06:54] initialization failed
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-114: [12:06:54] -------------------------------------
-114: [12:06:54]     Test empty molecule BCUT.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 97/235 Test #114: testBCUT ...............................   Passed    1.03 sec
-test 117
-        Start 117: testRDFcustom
-
-117: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDFcustom
-117: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-117: Test timeout computed to be: 1500
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [12:06:54]   done
-116: [12:06:54] -------------------------------------
-116: [12:06:54]     PBF edge cases.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-116: [12:06:54]   done
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 98/235 Test #116: testPBF ................................   Passed    0.53 sec
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-test 118
-        Start 118: testRDF
-
-118: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testRDF
-118: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-118: Test timeout computed to be: 1500
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 200
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: .............[12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-108: [12:06:54] SMILES Parse Error: syntax error while parsing: ---
-108: [12:06:54] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:54] ---
-108: [12:06:54] ^
-108: [12:06:54] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
-108: [12:06:54] dasfsadf
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [12:06:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [12:06:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-70: [12:06:54] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:54]  deprecated group abbreviation ignored on line 24
-70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
-70: [12:06:54] 
-70: 
-70: ****
-70: Post-condition Violation
-70: Element 'Mv' not found
-70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
-70: Failed Expression: anum > -1
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  3# 0x00007F5C514C8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  4# 0x00007F5C514D1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  5# 0x00007F5C514D216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
-70:  9# 0x000055A5179C5CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 10# 0x000055A517A2C492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 11# 0x000055A5179ACA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: 12# 0x00007F5C50A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70: 14# 0x000055A5179ACB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-69: Test
-69: 
-69:  RxnNoCoords.mrv
-69: 
-69: Test
-69: 
-69:  mrvValenceZero.mrv
-69: 
-69: Test
-69: 
-69:  condition_coordinates_mpoint.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  aspirineSynthesisWithAttributes.mrv
-69: 
-69: Test
-69: 
-69:  marvin01.mrv
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTest
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTestNoChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  NewChiralTest2AllChiral
-69: 
-69: Test
-69: 
-69:  Vendor839
-69: 
-69: Test
-69: 
-69:  DoubleBondChain
-69: 
-69: Test
-69: 
-69:  Na_Mg_Al_OH
-69: 
-69: Test
-69: 
-69:  Pb
-69: 
-69: Test
-69: 
-69:  O_Mg_Si
-69: 
-69: Test
-69: 
-69:  SquiggleBond
-69: 
-69: Test
-69: 
-69:  BigMacrocycle
-69: 
-69: Test
-69: 
-69:  Smiles1
-69: 
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
- 99/235 Test  #69: testMrvToMol ...........................   Passed    5.81 sec
-test 119
-        Start 119: testMORSE
-
-119: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testMORSE
-119: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-119: Test timeout computed to be: 1500
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:54] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-70: [12:06:55] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
-108: .[12:06:55] SMILES Parse Error: syntax error while parsing: mydoghasfleas
-108: [12:06:55] SMILES Parse Error: check for mistakes around position 1:
-108: [12:06:55] mydoghasfleas
-108: [12:06:55] ^
-108: [12:06:55] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: ----------------------------------
-70: ----------------------------------
-70: [12:06:55] 
-70: 
-70: ****
-70: Pre-condition Violation
-70: rlabel out of range for MDL files
-70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
-70: Failed Expression: rlabel >= 0 && rlabel < 100
-70: ----------
-70: Stacktrace:
-70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-70:  3# 0x000055A5179D309F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  4# 0x000055A517A2C50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  5# 0x000055A5179ACA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70:  6# 0x00007F5C50A30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-70:  8# 0x000055A5179ACB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
-70: ----------
-70: ****
-70: 
-70: [12:06:55] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-98: .
-98: ----------------------------------------------------------------------
-98: Ran 11 tests in 2.829s
-98: 
-98: OK
-98: True
-98: == CartesianProductStrategy CartesianProductStrategy
-98: 197 out of 300
-98: 0 6 out of 10
-98: 1 3 out of 5
-98: 2 4 out of 6
-98: 198 out of 300
-98: 0 10 out of 10
-98: 1 5 out of 5
-98: 2 6 out of 6
-98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7fb92d531a80> Skipped 10000000 in 0.20211052894592285 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7fb92d5319e0> Skipped 10000000 in 1.4089014530181885 seconds
-98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7fb92d531a30> Skipped 10000000 in 0.40097570419311523 seconds
-108: .......
-108: ----------------------------------------------------------------------
-108: Ran 21 tests in 1.578s
-108: 
-108: OK
-108: (Five aromatic carbons And (Not any of Five aromatic carbons))
-108: (Five aromatic carbons Or (Not any of Five aromatic carbons))
-108: (Not (Five aromatic carbons And (Not any of Five aromatic carbons)))
-108: ********************************************
-108: Testing: PAINS_A 2
-108: ********************************************
-108: Testing: PAINS_B 4
-108: ********************************************
-108: Testing: PAINS_C 8
-108: ********************************************
-108: Testing: PAINS 14
-108: (Not FilterMatcher)
-108: Bar
-108: Count 1
-108: ********************************************
-108: {'Cl,Br,I'}
-108: 1
-108: 2
-108: running
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 300
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-100/235 Test  #98: pyChemReactionEnumerations .............   Passed    4.12 sec
-test 120
-        Start 120: test3D
-
-120: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/test3D
-120: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-120: Test timeout computed to be: 1500
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-101/235 Test #108: pyFilterCatalog ........................   Passed    2.70 sec
-test 121
-        Start 121: testWHIM
-
-121: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testWHIM
-121: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-121: Test timeout computed to be: 1500
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-120: [12:06:55] -------------------------------------
-120: [12:06:55]     Basic PMI tests.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:55] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
-70: [12:06:55] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-70: [12:06:55] Empty atom list: 'M  ALS   1  0 F' on line 8.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-102/235 Test  #70: fileParsersTest1 .......................   Passed    6.43 sec
-test 122
-        Start 122: testGETAWAY
-
-122: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testGETAWAY
-122: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-122: Test timeout computed to be: 1500
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-41: [12:06:55] done: 500000
-41: [12:06:55] Done
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: 400
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-41: [12:06:55] Testing hanoi with a functor.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-41: [12:06:55] Done
-41: [12:06:55] Testing basic partition refinement.
-41: [12:06:55] Done
-41: [12:06:55] Testing partition refinement with neighbors.
-41: [12:06:55] Done
-41: [12:06:55] testing canonicalization via tie breaking.
-41: [12:06:55] Done
-41: [12:06:55] testing canonicalization using the wrapper.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-41: [12:06:55] Done
-41: [12:06:55] testing some specific ordering problems
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-41: [12:06:55] Finished
-41: [12:06:55] testing chiral invariants.
-41: [12:06:55] Finished
-41: [12:06:55] testing unique ranks in w.r.t. renumbering.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: [12:06:55] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-115: Elapsed time: 2.02287 s
-115: Errors:0
-115: [12:06:55] test on : 500 molecules done
-103/235 Test #115: testEEM ................................   Passed    2.08 sec
-test 123
-        Start 123: testAUTOCORR3D
-
-123: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testAUTOCORR3D
-123: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
-123: Test timeout computed to be: 1500
-41: [12:06:56] Finished
-41: [12:06:56] testing mol fragments.
-41: [12:06:56] Finished
-41: [12:06:56] testing protein round-tripping.
-89: [12:06:56] Explicit valence for atom # 9 N, 6, is greater than permitted
-109: [12:06:56] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F2BAB73DDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x000055F39B82D183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x000055F39B82A731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F2BAAA30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x000055F39B82A861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-109: [12:06:56] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense no new line
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F2BAB73DDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x000055F39B82D183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x000055F39B82A731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F2BAAA30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x000055F39B82A861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-109: [12:06:56] 
-109: 
-109: ****
-109: Invariant Violation
-109: nonsense with tab
-109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
-109: Failed Expression: token != tokens.end()
-109: ----------
-109: Stacktrace:
-109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-109:  2# 0x00007F2BAB73DDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
-109:  4# 0x000055F39B82D183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  5# 0x000055F39B82A731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109:  6# 0x00007F2BAAA30CA8 in /lib/x86_64-linux-gnu/libc.so.6
-109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-109:  8# 0x000055F39B82A861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
-109: ----------
-109: ****
-109: 
-121: =>start test WHIM
-121: [12:06:56] test on : 365 molecules done
-104/235 Test #109: testFragCatalog ........................   Passed    3.37 sec
-105/235 Test #121: testWHIM ...............................   Passed    0.71 sec
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+ 82/235 Test  #90: testSubstructMatch .....................   Passed    0.42 sec
 test 124
         Start 124: testCoulombMat
 
 124: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/testCoulombMat
 124: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 124: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: .........[20:55:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:55:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:55:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: [20:55:08] stereo atoms in input cannot be mapped to output (atoms are no longer bonded)
+97: .[20:55:08] product atom-mapping number 1 found multiple times.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [20:55:08] product atom-mapping number 1 found multiple times.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: Test
+61: 
+61:  RP-6306_atrop6.cxsmi
+61: 
+61: Test
+61: 
+61:  RP-6306_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ................[20:55:08] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 4 5
+97: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: Test
+61: 
+61:  RP-6306_atropBad2.cxsmi
+61: 
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: ..[20:55:08] == testRGroupState
+ 83/235 Test  #99: pyChemReactionSanitize .................   Passed    0.41 sec
+97: .<frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
+97: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 4 5
 test 125
         Start 125: descriptorsTestCatch
 
 125: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/descriptorsTestCatch
 125: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors
 125: Test timeout computed to be: 1500
-124: ===================== Testing CoulombMat  =======================
-124: CM test 1 mat Done
-106/235 Test #124: testCoulombMat .........................   Passed    0.11 sec
+97: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 3 
+104: Finished
+104: -----------------------
+104:  testRootedSubgraphs
+104: Finished
+104: -----------------------
+104:  testRootedPaths
+104: Finished
+103: .....
+103: ----------------------------------------------------------------------
+103: Ran 5 tests in 0.044s
+103: 
+103: OK
+ 84/235 Test #104: testSubgraphs1 .........................   Passed    0.30 sec
 test 126
         Start 126: pyMolDescriptors
 
 126: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py"
 126: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 126: Test timeout computed to be: 1500
-120: [12:06:56]   done
-120: [12:06:56] -------------------------------------
-120: [12:06:56]     More PMI/NPR tests.
-120: [12:06:56]   done
-120: [12:06:56] -------------------------------------
-120: [12:06:56]     Basic NPR tests.
-125: Randomness seeded to: 1262893846
-125: Warning: Atom Count for residue GLU5A does not match expected count
-125: Warning: Atom Count for residue ASN39A does not match expected count
-125: Warning: Atom Count for residue GLU53A does not match expected count
-125: Warning: Atom Count for residue ARG64A does not match expected count
-125: Warning: Atom Count for residue LYS80A does not match expected count
-125: Warning: Atom Count for residue GLU150A does not match expected count
-125: Warning: Atom Count for residue ASN157A does not match expected count
-117: =>start test rdf custom
-117: [12:06:56] test on : 365 molecules done
-125: Warning: Atom Count for residue GLU5A does not match expected count
-89: [12:06:57] Explicit valence for atom # 3 Al, 6, is greater than permitted
-120: [12:06:57]   done
-120: [12:06:57] -------------------------------------
-120: [12:06:57]     PMI edge cases.
-120: [12:06:57]   done
-120: [12:06:57] -------------------------------------
-120: [12:06:57]     NPR edge cases.
-120: [12:06:57]   done
-120: [12:06:57] -------------------------------------
-120: [12:06:57]     3D descriptors.
-120: [12:06:57]   done
-120: [12:06:57] -------------------------------------
-120: [12:06:57]     3D descriptor edge cases.
-120: [12:06:57]   done
-120: [12:06:57] -------------------------------------
-120: [12:06:57]     Inertial shape factor.
-120: [12:06:57]   done
-107/235 Test #120: test3D .................................   Passed    1.84 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ..[20:55:08] reactant 2 has no mapped atoms.
+97: [20:55:08] reactant 2 has no mapped atoms.
+97: [20:55:08] product 1 has no mapped atoms.
+98: .[20:55:08] == testRandomEnumerateAllBBsLibrary
+98: ** [1, 1]
+98: ** [0, 2]
+98: ** [1, 0]
+124: ===================== Testing CoulombMat  =======================
+97: ........[20:55:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])Q
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])Q' for input: '[C:1](=[O:2])Q'
+97: [20:55:08] SMARTS Parse Error: syntax error while parsing: [C:1](=[O:2])[N:3]Q
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS '[C:1](=[O:2])[N:3]Q' for input: '[C:1](=[O:2])[N:3]Q'
+97: .[20:55:08] reactant atom-mapping number 1 found multiple times.
+97: [20:55:08] product atom-mapping number 2 not found in reactants.
+97: [20:55:08] mapped atoms in the reactants were not mapped in the products.
+97:   unmapped numbers are: 4 
+97: [20:55:08] product atom-mapping number 5 not found in reactants.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[20:55:08] == testRandomEnumerateLibrary
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test VSA descriptors.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test molecular formula calculation.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Issue 3415534.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test Issue3433771: Bad definition for Crippen atom type O11.
+115: 100
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterHierarchyMatcher> already registered; second conversion method ignored.
+111: [20:55:08]   done
+111: [20:55:08] -------------------------------------
+111: [20:55:08]     Test multithreading
+111: reading molecules
+108: <frozen importlib._bootstrap>:488: RuntimeWarning: to-Python converter for boost::shared_ptr<RDKit::FilterCatalogEntry> already registered; second conversion method ignored.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+124: CM test 1 mat Done
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 85/235 Test #124: testCoulombMat .........................   Passed    0.07 sec
 test 127
         Start 127: pyMolDescriptors3D
 
 127: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Descriptors/Wrap/test3D.py"
 127: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Descriptors/Wrap
 127: Test timeout computed to be: 1500
-119: =>start test MORSE
-119: =>read file
-119: [12:06:57] test on : 365 molecules done
-108/235 Test #119: testMORSE ..............................   Passed    2.31 sec
+98: .[20:55:08] == testRandomSample
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[20:55:08] == testRandomSampleAllBBs
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 86/235 Test #103: pyTautomerQuery ........................   Passed    0.38 sec
 test 128
         Start 128: testFingerprints
 
 128: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprints
 128: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 128: Test timeout computed to be: 1500
-123: =>start test autocorr3D
-123: [12:06:57] test on : 365 molecules done
-89: [12:06:57] Explicit valence for atom # 4 Al, 6, is greater than permitted
-41: [12:06:57] Finished
-41: [12:06:57] testing stability w.r.t. renumbering.
-41: [12:06:57] Finished
-41: [12:06:57] testing smiles round-tripping.
-109/235 Test #123: testAUTOCORR3D .........................   Passed    1.48 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+98: .[20:55:08]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: [20:55:08]  deprecated -- please use MatchOnlyAtRgroupsAdjustParams instead
+98: .[20:55:08] == testRemoveBadMatches
+98: .[20:55:08] == testTimings
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+93: [20:55:08] reactant 0 has no mapped atoms.
+93: [20:55:08] product 0 has no mapped atoms.
+93: [20:55:08] WARNING: neither stereo atoms nor CIP codes found for double bond. Stereochemistry info will not be propagated to product.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ........./build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py:745: ResourceWarning: unclosed file <_io.BufferedReader name='/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/reaction1.no_metadata.png'>
+97:   png = open(fname, 'rb').read()
+97: ResourceWarning: Enable tracemalloc to get the object allocation traceback
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 34
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 36
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 38
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 40
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 42
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 87
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 89
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 91
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 93
+97: [20:55:08] Found a SCD/SED line with missing/empty SDT specification at line 95
+111: processing
+111:  launch :0
+111:  launch :1
+111:  launch :2
+111:  launch :3
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 87/235 Test #107: filterCatalogTest ......................   Passed    0.33 sec
 test 129
         Start 129: testMHFPFingerprint
 
 129: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testMHFPFingerprint
 129: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
 129: Test timeout computed to be: 1500
-89: [12:06:57] Explicit valence for atom # 10 Si, 6, is greater than permitted
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: ..[20:55:08] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+116: [20:55:08]   done
+116: [20:55:08] -------------------------------------
+116: [20:55:08]     PBF edge cases.
+116: [20:55:08]   done
+ 88/235 Test  #93: testReaction ...........................   Passed    0.51 sec
+ 89/235 Test #116: testPBF ................................   Passed    0.25 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 130
+        Start 130: testFingerprintGenerators
+
+130: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
+130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+130: Test timeout computed to be: 1500
+test 131
+        Start 131: fpTestCatch
+
+131: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
+131: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+131: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [20:55:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
+97: [20:55:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+97: [20:55:08] reaction has no reactants
+97: [20:55:08] reaction has no products
+97: [20:55:08] initialization failed
+97: [20:55:08] reaction has no reactants
+97: [20:55:08] reaction has no products
+61: Test
+61: 
+61:  RP-6306_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  Sotorasib_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  Sotorasib_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  Sotorasib_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  Sotorasib_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  Sotorasib_atrop5.cxsmi
+61: 
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+92: Randomness seeded to: 1957583549
+92: ===============================================================================
+92: All tests passed (11480 assertions in 38 test cases)
+92: 
+ 90/235 Test  #92: testGenericGroups ......................   Passed    0.53 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 132
+        Start 132: fpGenTestCatch
+
+132: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
+132: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
+132: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+68: ..............[20:55:08] SMILES Parse Error: syntax error while parsing: invalidsmiles
+68: [20:55:08] SMILES Parse Error: check for mistakes around position 1:
+68: [20:55:08] invalidsmiles
+110: .........
+110: ----------------------------------------------------------------------
+110: Ran 9 tests in 0.058s
+110: 
+110: OK
+129: [20:55:08] -------------------------------------
+129: [20:55:08] Test MHFP fingerprint encoder initialization
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
+61: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 13 ignored
 128: 
 128: 
 128: 
@@ -25212,6 +23192,10 @@
 128: 
 128: 
 128: -------------------
+97: .[20:55:08] SMARTS Parse Error: syntax error while parsing: boromicacid
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'boromicacid' for input: 'boromicacid'
+68: [20:55:08] ^
+68: [20:55:08] SMILES Parse Error: Failed parsing SMILES 'invalidsmiles' for input: 'invalidsmiles'
 128: 
 128: SMI: c12cc(O)nc(O)c1nc[nH]2
 128: Atoms:
@@ -25237,6 +23221,8 @@
 128: 	7 7->8 order: a conj?: 1 aromatic?: 1
 128: 	8 8->9 order: a conj?: 1 aromatic?: 1
 128: 	9 9->10 order: a conj?: 1 aromatic?: 1
+125: Randomness seeded to: 83842830
+125: Warning: Atom Count for residue GLU5A does not match expected count
 128: 	10 7->0 order: a conj?: 1 aromatic?: 1
 128: 	11 10->0 order: a conj?: 1 aromatic?: 1
 128: 
@@ -25271,6 +23257,8 @@
 128: 	4 3->5 order: a conj?: 1 aromatic?: 1
 128: 	5 5->6 order: a conj?: 1 aromatic?: 1
 128: 	6 6->7 order: 1 conj?: 1
+97: [20:55:08] SMARTS Parse Error: syntax error while parsing: carboxylicacid,acidchlroide
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxylicacid,acidchlroide' for input: 'carboxylicacid,acidchlroide'
 128: 	7 6->8 order: a conj?: 1 aromatic?: 1
 128: 	8 8->9 order: a conj?: 1 aromatic?: 1
 128: 	9 9->10 order: a conj?: 1 aromatic?: 1
@@ -25287,6 +23275,7 @@
 128: 
 128: -------------------
 128: 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: SMI: c1[nH]c2cc(O)nc(O)c2n1
 128: Atoms:
 128: 	0 6 C chg: 0  deg: 2 exp: 3 imp: 1 hyb: SP2 arom?: 1
@@ -25299,6 +23288,38 @@
 128: 	7 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
 128: 	8 8 O chg: 0  deg: 1 exp: 1 imp: 1 hyb: SP2
 128: 	9 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
+97: [20:55:08] SMARTS Parse Error: syntax error while parsing: carboxyliccaid,acidchloride
+97: [20:55:08] SMARTS Parse Error: Failed parsing SMARTS 'carboxyliccaid,acidchloride' for input: 'carboxyliccaid,acidchloride'
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+97: [20:55:08] reaction has no reactants
+97: [20:55:08] reaction has no products
+97: [20:55:08] initialization failed
+97: [20:55:08] reaction has no reactants
+97: [20:55:08] reaction has no products
+125: Warning: Atom Count for residue ASN39A does not match expected count
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test atom-pair fp generator
+97: .
+97: ----------------------------------------------------------------------
+97: Ran 54 tests in 0.172s
+97: 
+97: OK
+97: ********************************************
+97: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/ChemReactions/testData/AmideBond.rxn
+97: <rdkit.Chem.rdChemReactions.ChemicalReaction object at 0x7f8cbe433920>
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+125: Warning: Atom Count for residue GLU53A does not match expected count
+61: Test
+61: 
+61:  Sotorasib_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+125: Warning: Atom Count for residue ARG64A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+125: Warning: Atom Count for residue LYS80A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 128: 	10 7 N chg: 0  deg: 2 exp: 3 imp: 0 hyb: SP2 arom?: 1
 128: Bonds:
 128: 	0 0->1 order: a conj?: 1 aromatic?: 1
@@ -25346,6 +23367,7 @@
 128: 	5 5->6 order: 1 conj?: 1
 128: 	6 5->7 order: a conj?: 1 aromatic?: 1
 128: 	7 7->8 order: a conj?: 1 aromatic?: 1
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
 128: 	8 8->9 order: 1 conj?: 1
 128: 	9 8->10 order: a conj?: 1 aromatic?: 1
 128: 	10 10->0 order: a conj?: 1 aromatic?: 1
@@ -25361,6 +23383,12 @@
 128: 
 128: -------------------
 128: 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 13 14
+120: [20:55:08]     More PMI/NPR tests.
 128: SMI: c12c(cc(O)nc1O)[nH]cn2
 128: Atoms:
 128: 	0 6 C chg: 0  deg: 3 exp: 4 imp: 0 hyb: SP2 arom?: 1
@@ -25530,739 +23558,957 @@
 128: 
 128: -------------------
 128: 
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Morgan Fingerprints.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Morgan Fingerprints using fromAtoms argument.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Morgan Fingerprints as bit vects.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Morgan Fingerprints with feature invariants.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test additional Morgan fingerprints options.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Atom Codes.
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Atom Pairs.
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Atom Pairs part 2.
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Topological Torsions.
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Bulk Topological Torsions.
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-41: [12:06:57] Finished
-41: [12:06:57] testing github #1567: Non-canonical result from MolFragmentToSmiles()
-41: [12:06:57] Finished
-110/235 Test  #41: hanoiTest ..............................   Passed    9.07 sec
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-test 130
-        Start 130: testFingerprintGenerators
-
-130: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/testFingerprintGenerators
-130: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-130: Test timeout computed to be: 1500
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-129: [12:06:57] -------------------------------------
-129: [12:06:57] Test MHFP fingerprint encoder initialization
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test atom-pair fp generator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test atom-pair fp generator with different arguments
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test atom-pair additional output
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Folded Atom Pairs.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Rooted Atom Pairs.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test ignoring atoms in Atom Pairs.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Atom Pairs including info about chirality.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Morgan Fingerprints.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test morgan fp generator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Morgan Fingerprints using fromAtoms argument.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Morgan Fingerprints as bit vects.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test Morgan Fingerprints with feature invariants.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test additional Morgan fingerprints options.
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57]     Single atoms setting radius 1 bits in Morgan fingerprints  
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test different invariant generator combinations
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test invariant overriding
-130: [12:06:57]   done
-130: [12:06:57] -------------------------------------
-130: [12:06:57] Test RDKit fp generator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-129: [12:06:57]   done
-129: [12:06:57] -------------------------------------
-129: [12:06:57] Test MHFP shingling creation
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-129: [12:06:57]   done
-129: [12:06:57] -------------------------------------
-129: [12:06:57] Test MHFP hashing of string and uint arrays
-129: [12:06:57]   done
-129: [12:06:57] -------------------------------------
-129: [12:06:57] Test SECFP fingerprint functionality
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-129: [12:06:57]   done
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-111/235 Test #129: testMHFPFingerprint ....................   Passed    0.38 sec
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-test 131
-        Start 131: fpTestCatch
-
-131: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpTestCatch
-131: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-131: Test timeout computed to be: 1500
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Hashed Atom Pairs.
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Hashed torsions.
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Rooted Atom Pairs.
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test ignoring atoms in Atom Pairs.
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test Rooted Topological Torsions.
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57]   done
-128: [12:06:57] -------------------------------------
-128: [12:06:57]     Test ignoring atoms in Topological Torsions.
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:57] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test atom info from morgan fingerprints.
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test atom info from morgan fingerprints including Info Redundant Environments.
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58] -------------------------------------
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] -------------------------------------
-131: Randomness seeded to: 2138628483
-131: ===============================================================================
-131: All tests passed (188 assertions in 16 test cases)
-131: 
-128: [12:06:58] -------------------------------------
-128: [12:06:58] -------------------------------------
-112/235 Test #131: fpTestCatch ............................   Passed    0.07 sec
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test Atom Pairs including info about chirality.
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test Topological Torsions including info about chirality.
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test GitHub Issue 25: fingerprint backwards compatibility.
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test GitHub Issue 151: PatternFingerprint problems
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test 3D atom pairs.
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
-128: [12:06:58]   done
-128: [12:06:58] -------------------------------------
-128: [12:06:58]     Test multithreading with the pattern FP
-128: reading molecules
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:06:58] DEPRECATION WARNING: please use AtomPairGenerator
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test unfolded version of RDKFP   
-130: [12:06:58] -------------------------------------
-130: [12:06:58] Test topological torsion fp generator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-test 132
-        Start 132: fpGenTestCatch
-
-132: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/fpGenTestCatch
-132: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints
-132: Test timeout computed to be: 1500
-126: ..[12:06:58] 
-126: 
-126: ****
-126: Pre-condition Violation
-126: Number of atom props not equal to number of atoms
-126: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp
-126: Failed Expression: atom_props.size() == num_atoms
-126: ----------
-126: Stacktrace:
-126:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-126:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-126:  2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitDescriptors.so.1
-126:  3# 0x00007FD4D33A242A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
-126:  4# 0x00007FD4D33B2726 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
-126:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  6# 0x00007FD4D74A266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-126:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-126: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-126: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-126: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-126: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 17# 0x00007FD4D4FB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 18# 0x00007FD4D4FB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 19# 0x00007FD4D4FB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 20# 0x00007FD4D4FB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 21# 0x00007FD4D4FB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126: 27# 0x00007FD4D749F406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-126: 28# _PyObject_MakeTpCall in /usr/bin/python3
-126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 30# 0x00000000005BEE79 in /usr/bin/python3
-126: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 32# 0x0000000000547080 in /usr/bin/python3
-126: 33# 0x00000000006AB720 in /usr/bin/python3
-126: 34# _PyObject_MakeTpCall in /usr/bin/python3
-126: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 36# 0x00000000005BEE79 in /usr/bin/python3
-126: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 38# 0x0000000000547080 in /usr/bin/python3
-126: 39# 0x00000000006AB720 in /usr/bin/python3
-126: 40# _PyObject_MakeTpCall in /usr/bin/python3
-126: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 42# 0x00000000005BEE79 in /usr/bin/python3
-126: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 44# 0x0000000000547080 in /usr/bin/python3
-126: 45# 0x00000000006AB720 in /usr/bin/python3
-126: 46# _PyObject_MakeTpCall in /usr/bin/python3
-126: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 48# 0x000000000059582E in /usr/bin/python3
-126: 49# _PyObject_MakeTpCall in /usr/bin/python3
-126: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-126: 51# PyEval_EvalCode in /usr/bin/python3
-126: 52# 0x000000000066A861 in /usr/bin/python3
-126: 53# 0x000000000066670C in /usr/bin/python3
-126: 54# 0x000000000067F713 in /usr/bin/python3
-126: 55# 0x000000000067ECE3 in /usr/bin/python3
-126: 56# 0x000000000067EB1E in /usr/bin/python3
-126: 57# Py_RunMain in /usr/bin/python3
-126: 58# Py_BytesMain in /usr/bin/python3
-126: 59# 0x00007FD4D7D78CA8 in /lib/x86_64-linux-gnu/libc.so.6
-126: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-126: 61# _start in /usr/bin/python3
-126: ----------
-126: ****
-126: 
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-125: Warning: Atom Count for residue ASN39A does not match expected count
-130: [12:06:58] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test Topological Torsions.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test Folded torsions.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test Bulk Topological Torsions.
-126: ...Warning: Atom Count for residue GLU5A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
-126: Warning: Atom Count for residue GLU53A does not match expected count
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
-126: Warning: Atom Count for residue GLU150A does not match expected count
-126: Warning: Atom Count for residue ASN157A does not match expected count
-128: pass 1
-128:  launch :0
-128:  launch :1
-128:  launch :2
-128:  launch :3
-126: Warning: Atom Count for residue GLU5A does not match expected count
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test Rooted Topological Torsions.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test ignoring atoms in Topological Torsions.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test Topological Torsions including info about chirality.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test GitHub Issue 25: fingerprint backwards compatibility.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-132: Randomness seeded to: 823938114
-132: ===============================================================================
-132: All tests passed (2737 assertions in 7 test cases)
-132: 
-113/235 Test #132: fpGenTestCatch .........................   Passed    0.29 sec
-130: [12:06:58]   done
-130: [12:06:58] -------------------------------------
-130: [12:06:58]     Test convenience and bulk fp calculation functions
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     Basic NPR tests.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test atom-pair fp generator with different arguments
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test compatibility between atom pair implementation for FingerprintGenerator and old atom pairs implementation
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+125: Warning: Atom Count for residue GLU150A does not match expected count
+125: Warning: Atom Count for residue ASN157A does not match expected count
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: Test
+61: 
+61:  Sotorasib_atropBad2.cxsmi
+61: 
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+130: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test atom-pair additional output
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Folded Atom Pairs.
+61: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 13 14
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Rooted Atom Pairs.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test ignoring atoms in Atom Pairs.
+130: [20:55:08]   done
+129: [20:55:08]   done
+129: [20:55:08] -------------------------------------
+129: [20:55:08] Test MHFP shingling creation
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Atom Pairs including info about chirality.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Morgan Fingerprints.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test morgan fp generator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Morgan Fingerprints.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Morgan Fingerprints using fromAtoms argument.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Morgan Fingerprints as bit vects.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Morgan Fingerprints with feature invariants.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Morgan Fingerprints using fromAtoms argument.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Morgan Fingerprints as bit vects.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test Morgan Fingerprints with feature invariants.
+128: [20:55:08]     Test additional Morgan fingerprints options.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Atom Codes.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Atom Pairs.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Atom Pairs part 2.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Topological Torsions.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Bulk Topological Torsions.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test additional Morgan fingerprints options.
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Single atoms setting radius 1 bits in Morgan fingerprints  
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test different invariant generator combinations
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test invariant overriding
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test RDKit fp generator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 91/235 Test #110: pyFragCatalog ..........................   Passed    0.39 sec
+36: [20:55:08] Maximum BFS search size exceeded.
+36: This is likely due to a highly symmetric fused ring system.
 test 133
         Start 133: pyTestGenerator
 
 133: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testGenerators.py"
 133: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 133: Test timeout computed to be: 1500
-118: =>start test rdf
-118: [12:06:58] test on : 365 molecules done
-114/235 Test #118: testRDF ................................   Passed    3.72 sec
-89: [12:06:58] Explicit valence for atom # 2 O, 4, is greater than permitted
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+71: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+131: Randomness seeded to: 3314892663
+131: ===============================================================================
+131: All tests passed (188 assertions in 16 test cases)
+131: 
+30: ......[20:55:08] Molecule does not have explicit Hs. Consider calling AddHs()
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 92/235 Test #131: fpTestCatch ............................   Passed    0.08 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 134
         Start 134: pyTestMHFP
 
 134: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Fingerprints/Wrap/testMHFP.py"
 134: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Fingerprints/Wrap
 134: Test timeout computed to be: 1500
-29: All 191 tests passed
-89: [12:06:58] Explicit valence for atom # 3 Al, 6, is greater than permitted
-89: [12:06:58] Explicit valence for atom # 3 Be, 4, is greater than permitted
-89: [12:06:58] Explicit valence for atom # 27 P, 6, is greater than permitted
-128: pass 2
-128:  launch :0
-128:  launch :1
-128:  launch :2
-128:  launch :3
-127: ........
-127: ----------------------------------------------------------------------
-127: Ran 8 tests in 0.462s
-127: 
-127: OK
-89: ===============================================================================
-89: All tests passed (21562 assertions in 3 test cases)
-89: 
-115/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    8.36 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+129: [20:55:08]   done
+129: [20:55:08] -------------------------------------
+129: [20:55:08] Test MHFP hashing of string and uint arrays
+129: [20:55:08]   done
+129: [20:55:08] -------------------------------------
+129: [20:55:08] Test SECFP fingerprint functionality
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 200
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+71: Atropisomers- 1 hits   3 misses
+71: Final results:
+71: Found atropisomers in TestMultInSDF.sdf - 1 hits   4 misses
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 93/235 Test  #71: testAtropisomers .......................   Passed    0.78 sec
 test 135
         Start 135: testPartialCharges
 
 135: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/testPartialCharges
 135: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges
 135: Test timeout computed to be: 1500
-116/235 Test #127: pyMolDescriptors3D .....................   Passed    1.47 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  badWedgeError.sdf
+69: 
+69: Test
+69: 
+69:  CrossedDoubleBondWithChiralNbr2.sdf
+69: 
+69: Test
+69: 
+69:  CrossedDoubleBondWithChiralNbr.sdf
+69: 
+69: Test
+69: 
+69:  SimpleWiggleDoubleBond.sdf
+69: 
+69: Test
+69: 
+69:  lostStereoAnd.sdf
+69: 
+69: Test
+69: 
+69:  DoubleBondChain.sdf
+69: 
+69: Test
+69: 
+69:  UnitsError.sdf
+69: 
+69: Test
+69: 
+69:  StarAtom.sdf
+69: 
+69: Test
+69: 
+69:  nonProprietary.mol
+69: 
+69: Test
+69: 
+69:  ChiralTest.sdf
+69: 
+69: Test
+69: 
+69:  TestBond1.mol
+69: 
+69: Test
+69: 
+69:  Sgroup_MUL_ParentInMiddle.sdf
+69: 
+69: Test
+69: 
+69:  BadRxn.rxn
+69: 
+69: Test
+69: 
+69:  FalseChiral.mrv
+69: 
+69: Test
+69: 
+69:  FalseChiral.mrv
+69: 
+69: Test
+69: 
+69:  Cubane.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTest.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTest.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTestAllChiral.mrv
+69: 
+69: Test
+69: 
+69:  DataSgroupMissingUnitsDisplayed.mrv
+69: 
+69: Test
+69: 
+69:  lostStereoAnd.mrv
+69: 
+69: Test
+69: 
+69:  DoubleBondChain.mrv
+69: 
+69: Test
+69: 
+69:  WigglyAndCrossed.mrv
+69: 
+69: Test
+69: 
+69:  BondTypes.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSGroupSUP_MUL.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupCOP_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupDAT_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupMULTICENTER_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupMUL_MUL.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupMUL_MUL2.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupMUL_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSRU_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSUPEXP_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSUPEXP_SUP2.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSUP_MULTICENTER.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSUP_SUP.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroupSUP_SUP2.mrv
+69: 
+69: Test
+69: 
+69:  RgroupBad.mrv
+69: 
+69: Test
+69: 
+69:  valenceLessThanDrawn.mrv
+69: 
+69: Test
+69: 
+69:  data_sgroup_no_fieldname.mrv
+69: 
+69: Test
+69: 
+69:  data_sgroup_empty_field_data.mrv
+69: 
+69: Test
+69: 
+69:  radical_value.mrv
+69: 
+69: Test
+69: 
+69:  emptyOneLineAtomList.mrv
+69: 
+69: Test
+69: 
+69:  mrvValence_value.mrv
+69: 
+69: Test
+69: 
+69:  ChiralTest2.mrv
+69: 
+69: Test
+69: 
+69:  ChiralTest.mrv
+69: 
+69: Test
+69: 
+69:  SnCl2.mrv
+69: 
+69: Test
+69: 
+69:  SnH2Cl2.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  marvin02.mrv
+69: 
+69: Test
+69: 
+69:  marvin07.mrv
+69: 
+69: Test
+69: 
+69:  marvin10.mrv
+69: 
+69: Test
+69: 
+69:  marvin06.mrv
+69: 
+69: Test
+69: 
+69:  marvin12.mrv
+69: 
+69: Test
+69: 
+69:  EmptyMol.mrv
+69: 
+69: Test
+69: 
+69:  Sparse.mrv
+69: 
+69: Test
+69: 
+69:  Sparse2.mrv
+69: 
+69: Test
+69: 
+69:  Sparse3.mrv
+69: 
+69: Test
+69: 
+69:  MarvinNoCoords.mrv
+69: 
+69: Test
+69: 
+69:  aspirin.mrv
+69: 
+69: Test
+69: 
+69:  MarvinStereoGroupsZeros.mrv
+69: 
+69: Test
+69: 
+69:  MarvinStereoGroupsAbs.mrv
+69: 
+69: Test
+69: 
+69:  triphenylphosphine.mrv
+69: 
+69: Test
+69: 
+69:  MarvinOldSuperGroupTest.mrv
+69: 
+69: Test
+69: 
+69:  RadicalTests.mrv
+69: 
+69: Test
+69: 
+69:  AnyBond.mrv
+69: 
+69: Test
+69: 
+69:  cisBenzene.mrv
+69: 
+69: Test
+69: 
+69:  DativeBond.mrv
+69: 
+69: Test
+69: 
+69:  MultipleSgroup.mrv
+69: 
+69: Test
+69: 
+69:  SgroupExpanded.mrv
+69: 
+69: Test
+69: 
+69:  SgroupMultAttach.mrv
+69: 
+69: Test
+69: 
+69:  MarvinMissingX2.mrv
+69: 
+69: Test
+69: 
+69:  MarvinMissingY2.mrv
+69: 
+69: Test
+69: 
+69:  DataSgroup.mrv
+69: 
+69: Test
+69: 
+69:  MulticenterSgroup.mrv
+69: 
+69: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+69: [20:55:08] Can't kekulize mol.  Unkekulized atoms: 6 7 8 9 10
+129: [20:55:08]   done
+ 94/235 Test  #97: pyChemReactions ........................   Passed    0.62 sec
+ 95/235 Test #129: testMHFPFingerprint ....................   Passed    0.13 sec
 test 136
         Start 136: pyPartialCharges
 
 136: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py"
 136: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/PartialCharges/Wrap
 136: Test timeout computed to be: 1500
-117/235 Test #135: testPartialCharges .....................   Passed    0.07 sec
 test 137
         Start 137: testMolTransforms
 
 137: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/testMolTransforms
 137: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
 137: Test timeout computed to be: 1500
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
-12: ..................
-12: ----------------------------------------------------------------------
-12: Ran 18 tests in 10.094s
-12: 
-12: OK
-117: =>start test morse custom
-117: [12:06:58] test on : 365 molecules done
-125: Warning: Atom Count for residue GLU53A does not match expected count
-118/235 Test  #12: pyBV ...................................   Passed   10.79 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+36: F/C=C/Cl
+36: [H]/C(F)=C(/[H])Cl
+36: F/C=C/Cl
+36: F/C=C/Cl
+36: C/C(F)=C(/C)Cl
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+36: [20:55:08] -----------------------
+36:  Testing isRingFused 
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 96/235 Test #135: testPartialCharges .....................   Passed    0.04 sec
 test 138
         Start 138: molTransformsTestCatch
 
 138: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/molTransformsTestCatch
 138: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms
 138: Test timeout computed to be: 1500
-138: Randomness seeded to: 114494883
-138: ===============================================================================
-138: All tests passed (4 assertions in 1 test case)
-138: 
-119/235 Test #138: molTransformsTestCatch .................   Passed    0.05 sec
+ 97/235 Test  #36: graphmolMolOpsTest .....................   Passed    1.10 sec
 test 139
         Start 139: pyMolTransforms
 
 139: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py"
 139: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolTransforms/Wrap
 139: Test timeout computed to be: 1500
-130: [12:06:59]   done
-130: [12:06:59] -------------------------------------
-130: [12:06:59]     Test GitHub Issue #6958
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  GenericSgroup.mrv
+69: 
+69: Test
+69: 
+69:  MonomerSgroup.mrv
+69: 
+69: Test
+69: 
+69:  modification_sgroup.mrv
+69: 
+69: Test
+69: 
+69:  copolymer_sgroup.mrv
+69: 
+69: Test
+69: 
+69:  MultipleSgroupParentInMiddleOfAtomBlock.mrv
+69: 
+69: Test
+69: 
+69:  EmbeddedSgroups.mrv
+69: 
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingMolID.mrv
+69: 
+69: [20:55:08] 
+69: 
+69: ****
+69: Test Assert
+69: Expression Failed: 
+69: Violation occurred on line 329 in file ./Code/GraphMol/MarvinParse/testMrvToMol.cpp
+69: Failed Expression: GetExpectedValue(expectedMrvName) == outMolStr
+69: ----------
+69: Stacktrace:
+69:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+69:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+69:  2# 0x000055E67099F99F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  3# 0x000055E6709AA69C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  4# 0x000055E670997A5D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69:  5# 0x00007FA503033CA8 in /lib/x86_64-linux-gnu/libc.so.6
+69:  6# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+69:  7# 0x000055E670997BE1 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MarvinParse/testMrvToMol
+69: ----------
+69: ****
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingAtomID.mrv
+69: 
+69: Expected id, elementType for an atom definition in MRV file
+69: Test
+69: 
+69:  MarvinBadX2.mrv
+69: 
+69: The values x2 and y2 must be large floats in MRV file
+69: Test
+69: 
+69:  MarvinBadY2.mrv
+69: 
+69: The values x2 and y2 must be large floats in MRV file
+69: Test
+69: 
+69:  MarvinBadStereoGroupsAbs.mrv
+69: 
+69: Unrecognized group definition
+69: Test
+69: 
+69:  MarvinBadElementType.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingBondID.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingBondAtomRefs
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingBondOrder.mrv
+69: 
+69: bond must have one of:  order, queryType, or convention in MRV File 
+125: Warning: Atom Count for residue GLU5A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  MarvinBadMissingSruMolID.mrv
+69: 
+69: Expected a molID in MRV file
+69: Test
+69: 
+69:  MarvinBadMissingSruID.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingSruRole.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingSruAtomRef.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadMissingSruTitle.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadSruAtomRef.mrv
+69: 
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+68: .....
+68: ----------------------------------------------------------------------
+132: Randomness seeded to: 1476836530
+132: ===============================================================================
+132: All tests passed (2737 assertions in 7 test cases)
+132: 
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+68: Ran 19 tests in 0.428s
+68: 
+68: OK
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  MarvinBadSruID.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadSruRole.mrv
+69: 
+69: Test
+69: 
+69:  MarvinBadSruAtomRef.mrv
+69: 
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+ 98/235 Test #132: fpGenTestCatch .........................   Passed    0.14 sec
+69: Test
+69: 
+69:  MarvinBadSruAtomRef.mrv
+69: 
+69: AtomRef specification for an SRU, Copolymer, or Modification group definition was not found in any parent
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+test 140
+        Start 140: forceFieldHelpersCatch
+
+140: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch
+140: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers
+140: Test timeout computed to be: 1500
+69: Test
+69: 
+69:  MarvinBadSruConnect.mrv
+69: 
+69: Expected a connect  string of "hh, ht, eu" for a SruSgroup definition in MRV file
+69: Test
+69: 
+69:  MarvinBadSupAttachAtom.mrv
+69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+69: Test
+69: 
+69:  MarvinBadSupAttachBond.mrv
+69: 
+69: Bond specification for an AttachmentPoint definition must be in the bond array in MRV file
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: Test
+61: 
+61:  Sotorasib_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  ZM374979_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  ZM374979_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  ZM374979_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  ZM374979_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  ZM374979_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  MarvinBadSupAttachOrder.mrv
+69: 
+69: Order for an AttachmentPoint definition must be an integer in MRV file
+69: Test
+69: 
+69:  MarvinBadSupAttachAtom.mrv
+69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  MarvinBadSupAttachAtom.mrv
+69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+69: Test
+69: 
+69:  MarvinBadSupAttachAtom.mrv
+69: 
+69: Atom specification for an AttachmentPoint definition must be in the parent's atom array in MRV file
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  MarvinBadSupMissingAttachBond.mrv
+69: 
+69: No attachment point found for bond to the condensed atom in a superatomSgroup
+69: Test
+69: 
+69:  MarvinBadSupMissingAttachOrder.mrv
+69: 
+69: Expected atom, order and bond, for an AttachmentPoint definition in MRV file
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+112: [20:55:08]   done
+112: [20:55:08] -------------------------------------
+112: [20:55:08]     Test Github #3806: NaNs from AUTOCORR2D descriptor
+112: [20:55:08]   done
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+ 99/235 Test #112: testAUTOCORR2D .........................   Passed    0.50 sec
+test 141
+        Start 141: testMMFFForceFieldHelpers
+
+141: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
+141: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
+141: Test timeout computed to be: 1500
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
 137: ***********************************************************
 137: Testing MolTransforms
 137: 	---------------------------------
@@ -26293,672 +24539,1206 @@
 137: 	 testWeightedCentroid 
 137: 
 137: ***********************************************************
-130: [12:06:59] DEPRECATION WARNING: please use AtomPairGenerator
-120/235 Test #130: testFingerprintGenerators ..............   Passed    1.63 sec
-121/235 Test #137: testMolTransforms ......................   Passed    0.41 sec
-test 140
-        Start 140: forceFieldHelpersCatch
-
-140: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/forceFieldHelpersCatch
-140: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers
-140: Test timeout computed to be: 1500
-test 141
-        Start 141: testMMFFForceFieldHelpers
-
-141: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers
-141: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
-141: Test timeout computed to be: 1500
-140: Randomness seeded to: 2208770674
-140: ===============================================================================
-140: All tests passed (17 assertions in 2 test cases)
-140: 
-122/235 Test #140: forceFieldHelpersCatch .................   Passed    0.07 sec
-126: Warning: Atom Count for residue ASN39A does not match expected count
-141: [12:06:59] -------------------------------------
-141: [12:06:59]     Test MMFF atom types.
-141: [12:06:59]   done
-141: [12:06:59] -------------------------------------
-141: [12:06:59]     Testing MMFF builder tools.
-141: [12:06:59]   done
-141: [12:06:59] -------------------------------------
-141: [12:06:59]     Testing MMFF builder+minimization.
-117: =>start test AUTOCORR3D custom
-117: [12:06:59] test on : 365 molecules done
-134: ..
-134: ----------------------------------------------------------------------
-134: Ran 2 tests in 0.105s
-134: 
-134: OK
-125: Warning: Atom Count for residue ARG64A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+138: Randomness seeded to: 1502484512
+138: ===============================================================================
+138: All tests passed (4 assertions in 1 test case)
+138: 
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+100/235 Test #137: testMolTransforms ......................   Passed    0.09 sec
 test 142
         Start 142: testMMFFForceFieldHelpersMultiThread
 
 142: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpersMultiThread
 142: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/MMFF
 142: Test timeout computed to be: 1500
-142: [12:06:59] -------------------------------------
-142: [12:06:59]     Test MMFF multithreading
-133: ..............
-133: ----------------------------------------------------------------------
-133: Ran 14 tests in 0.392s
-133: 
-133: OK
-123/235 Test #134: pyTestMHFP .............................   Passed    1.12 sec
-117: =>start test 2 WHIM custom
-117: [12:06:59] test on : 365 molecules done
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+101/235 Test #138: molTransformsTestCatch .................   Passed    0.08 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 143
         Start 143: testUFFForceFieldHelpers
 
 143: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers
 143: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/UFF
 143: Test timeout computed to be: 1500
-126: Warning: Atom Count for residue GLU53A does not match expected count
-143: [12:06:59] -------------------------------------
-143: [12:06:59]     Test UFF atom labels.
-143: [12:06:59]   done
-143: [12:06:59] -------------------------------------
-143: [12:06:59]     Test UFF atom typer.
-143: [12:06:59]   done
-143: [12:06:59] -------------------------------------
-143: [12:06:59]     Testing UFF builder tools.
-143: [12:06:59]   done
-143: [12:06:59] -------------------------------------
-143: [12:06:59]     Testing UFF builder+minimization.
-142: processing
-142:  launch :0
-142:  launch :1
-142:  launch :2
-142:  launch :3
-142:  launch :4
-142:  launch :5
-142:  launch :6
-142:  launch :7
-142:  launch :8
-142:  launch :9
-142:  launch :10
-142:  launch :11
-142:  launch :12
-142:  launch :13
-142:  launch :14
-142:  launch :15
-142:  launch :16
-142:  launch :17
-142:  launch :18
-142:  launch :19
-142:  launch :20
-142:  launch :21
-142:  launch :22
-142:  launch :23
-124/235 Test #133: pyTestGenerator ........................   Passed    1.45 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 300
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+102/235 Test  #68: pyDepictor .............................   Passed    0.91 sec
 test 144
         Start 144: testCrystalForceField
 
 144: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF/testCrystalForceField
 144: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/CrystalFF
 144: Test timeout computed to be: 1500
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Test MMFF atom types.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [20:55:08] Explicit valence for atom # 9 N, 6, is greater than permitted
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing MMFF builder tools.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 144: -------------------------------------
 144:  Test CrystalFF torsional term.
-141: [12:06:59]   done
-141: [12:06:59] -------------------------------------
-141: [12:06:59]     Testing Issue239.
-126: Warning: Atom Count for residue ARG64A does not match expected count
-139: ........
-139: ----------------------------------------------------------------------
-139: Ran 8 tests in 0.147s
-139: 
-139: OK
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing calcEnergy with passed coords.
-125: Warning: Atom Count for residue LYS80A does not match expected count
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing calcGrad.
-136: .......
-136: ----------------------------------------------------------------------
-136: Ran 7 tests in 0.631s
-136: 
-136: OK
-125/235 Test #139: pyMolTransforms ........................   Passed    1.14 sec
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Test UFF atom labels.
+140: Randomness seeded to: 1554080467
+140: ===============================================================================
+140: All tests passed (17 assertions in 2 test cases)
+140: 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+103/235 Test #140: forceFieldHelpersCatch .................   Passed    0.09 sec
 test 145
         Start 145: pyForceFieldHelpers
 
 145: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py"
 145: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ForceFieldHelpers/Wrap
 145: Test timeout computed to be: 1500
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing Issue242.
-142: done
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing github 308: crash during MMFF parameterization .
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing SFIssue1653802.
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Testing SFIssue2378119.
-141: [12:07:00]   done
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Test MMFF force-field parameter getters.
-141: [12:07:00] -------------------------------------
-141: [12:07:00]     Test MMFF multithreading
-126/235 Test #144: testCrystalForceField ..................   Passed    0.53 sec
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing MMFF builder+minimization.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+142: [20:55:08] -------------------------------------
+142: [20:55:08]     Test MMFF multithreading
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Test UFF atom typer.
+61: Test
+61: 
+61:  Mrtx1719_3d.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop1.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop2.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop3.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atrop4.cxsmi
+61: 
+61: Test
+61: 
+61:  Mrtx1719_atropBad1.cxsmi
+61: 
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing UFF builder tools.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing UFF builder+minimization.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+61: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 11 12
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     PMI edge cases.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+120: [20:55:08]     NPR edge cases.
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     3D descriptors.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     3D descriptor edge cases.
+120: [20:55:08]   done
+120: [20:55:08] -------------------------------------
+120: [20:55:08]     Inertial shape factor.
+121: =>start test WHIM
+121: [20:55:08] test on : 365 molecules done
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+104/235 Test #121: testWHIM ...............................   Passed    0.48 sec
+123: =>start test autocorr3D
+123: [20:55:08] test on : 365 molecules done
 test 146
         Start 146: testDistGeomHelpers
 
 146: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers
 146: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 146: Test timeout computed to be: 1500
-141: generating reference data
-146: [12:07:00] ********************************************************
-146: [12:07:00] Testing DistGeomHelpers
-146: [12:07:00] 	---------------------------------
-146: [12:07:00] 	 test2 
-146: 
-146: go
-146: -------------------------------------
-146: 
-117: =>start test 1 WHIM custom
-117: [12:07:00] test on : 365 molecules done
-142: [12:07:00]   done
-126: Warning: Atom Count for residue LYS80A does not match expected count
-127/235 Test #136: pyPartialCharges .......................   Passed    1.70 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+120: [20:55:08]   done
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+105/235 Test #120: test3D .................................   Passed    0.52 sec
+106/235 Test #123: testAUTOCORR3D .........................   Passed    0.43 sec
 test 147
         Start 147: distGeomHelpersCatch
 
 147: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/distGeomHelpersCatch
 147: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers
 147: Test timeout computed to be: 1500
-128/235 Test  #43: resMolSupplierTest .....................   Passed   11.95 sec
 test 148
         Start 148: pyDistGeomHelpers
 
 148: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py"
 148: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/DistGeomHelpers/Wrap
 148: Test timeout computed to be: 1500
-147: Randomness seeded to: 3412025637
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing UFF special cases.
-143: [12:07:00] UFFTYPER: Unrecognized charge state for atom: 0
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing Issue239.
-129/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    1.24 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ..[20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: .[20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+30: ...
+30: ----------------------------------------------------------------------
+30: Ran 12 tests in 0.562s
+30: 
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+30: OK
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: ..[20:55:08] 
+126: 
+126: ****
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  Cubane.mrv
+69: 
+69: Test
+69: 
+69:  FalseAtropisomer.mrv
+69: 
+69: Test
+69: 
+69:  AtropEnhancedStereo.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChirals.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced2.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced3.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d_chiral.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop5.mrv
+69: 
+69: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: Pre-condition Violation
+126: Number of atom props not equal to number of atoms
+126: Violation occurred on line 89 in file ./Code/GraphMol/Descriptors/BCUT.cpp
+126: Failed Expression: atom_props.size() == num_atoms
+126: ----------
+126: Stacktrace:
+126:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+126:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+126:  2# RDKit::Descriptors::BCUT2D(RDKit::ROMol const&, std::vector<double, std::allocator<double> > const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitDescriptors.so.1
+126:  3# 0x00007EFC2818B42A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  4# 0x00007EFC2819B726 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolDescriptors.so
+126:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  6# 0x00007EFC2C17D66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+126:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+126: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+126: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+126: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+126: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+126: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+126: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+126: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 17# 0x00007EFC29DB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 18# 0x00007EFC29DB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 19# 0x00007EFC29DB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 20# 0x00007EFC29DB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 21# 0x00007EFC29DB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+126: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+126: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126: 27# 0x00007EFC2C17A406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+126: 28# _PyObject_MakeTpCall in /usr/bin/python3
+126: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 30# 0x00000000005BEE79 in /usr/bin/python3
+126: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 32# 0x0000000000547080 in /usr/bin/python3
+126: 33# 0x00000000006AB720 in /usr/bin/python3
+126: 34# _PyObject_MakeTpCall in /usr/bin/python3
+126: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 36# 0x00000000005BEE79 in /usr/bin/python3
+126: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 38# 0x0000000000547080 in /usr/bin/python3
+126: 39# 0x00000000006AB720 in /usr/bin/python3
+126: 40# _PyObject_MakeTpCall in /usr/bin/python3
+126: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 42# 0x00000000005BEE79 in /usr/bin/python3
+126: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 44# 0x0000000000547080 in /usr/bin/python3
+126: 45# 0x00000000006AB720 in /usr/bin/python3
+126: 46# _PyObject_MakeTpCall in /usr/bin/python3
+126: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 48# 0x000000000059582E in /usr/bin/python3
+126: 49# _PyObject_MakeTpCall in /usr/bin/python3
+126: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+126: 51# PyEval_EvalCode in /usr/bin/python3
+126: 52# 0x000000000066A861 in /usr/bin/python3
+126: 53# 0x000000000066670C in /usr/bin/python3
+126: 54# 0x000000000067F713 in /usr/bin/python3
+126: 55# 0x000000000067ECE3 in /usr/bin/python3
+126: 56# 0x000000000067EB1E in /usr/bin/python3
+126: 57# Py_RunMain in /usr/bin/python3
+126: 58# Py_BytesMain in /usr/bin/python3
+126: 59# 0x00007EFC2CA48CA8 in /lib/x86_64-linux-gnu/libc.so.6
+126: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+126: 61# _start in /usr/bin/python3
+126: ----------
+126: ****
+126: 
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing Issue239.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+114: [20:55:08] -------------------------------------
+114: [20:55:08]     Test empty molecule BCUT.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Hashed Atom Pairs.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+107/235 Test #114: testBCUT ...............................   Passed    0.61 sec
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Hashed torsions.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Rooted Atom Pairs.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test ignoring atoms in Atom Pairs.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
 test 149
         Start 149: testMolAlign
 
 149: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testMolAlign
 149: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 149: Test timeout computed to be: 1500
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing calcEnergy with passed coords.
-147: [12:07:00] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
-147: [12:07:00] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
-147: [12:07:00] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing calcGrad.
-147: -----------
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
-147: -----------
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
-147: -----------
-147: -----------
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-147: [12:07:00] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing SFIssue1653802.
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing SFIssue2378119.
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Test UFF force-field parameter getters.
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing handling missing parameters.
-143: [12:07:00] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [12:07:00] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-143: [12:07:00] UFFTYPER: Unrecognized hybridization for atom: 0
-143: [12:07:00] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Testing SFIssue3009337.
-143: [12:07:00]   done
-143: [12:07:00] -------------------------------------
-143: [12:07:00]     Test UFF multithreading
-143: generating reference data
-147: [12:07:00] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
-147: [12:07:00] UFFTYPER: Unrecognized charge state for atom: 1
-145: [12:07:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:00] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [12:07:00] UFFTYPER: Unrecognized charge state for atom: 1
-149: ***********************************************************
-149: Testing MolAlign
-149: 	---------------------------------
-149: 	 test1MolAlign 
-149: 
-149: 	---------------------------------
-149: 	 test1GetBestRMS 
-149: 
-149: 	---------------------------------
-149: 	 test1MolWithQueryAlign 
-149: 
-149: 	---------------------------------
-149: 	 test2AtomMap 
-149: 
-149: 	---------------------------------
-149: 	 test3Weights 
-149: 
-149: 	---------------------------------
-149: 	 testIssue241 
-149: 
-149: ***********************************************************
-145: ..[12:07:00] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-130/235 Test #149: testMolAlign ...........................   Passed    0.42 sec
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Rooted Topological Torsions.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test ignoring atoms in Topological Torsions.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test atom info from morgan fingerprints.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test atom info from morgan fingerprints including Info Redundant Environments.
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08] -------------------------------------
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] -------------------------------------
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: ...Warning: Atom Count for residue GLU5A does not match expected count
+126: Warning: Atom Count for residue ASN39A does not match expected count
+126: Warning: Atom Count for residue GLU53A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue ARG64A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue LYS80A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing calcEnergy with passed coords.
+128: [20:55:08] -------------------------------------
+128: [20:55:08] -------------------------------------
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Atom Pairs including info about chirality.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test Topological Torsions including info about chirality.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test GitHub Issue 25: fingerprint backwards compatibility.
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test GitHub Issue 151: PatternFingerprint problems
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  BMS-986142_atrop6.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop7.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop8.mrv
+69: 
+69: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:08] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue GLU150A does not match expected count
+126: Warning: Atom Count for residue ASN157A does not match expected count
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  BMS-986142_atropBad2.mrv
+69: 
+69: [20:55:08] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test 3D atom pairs.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+147: Randomness seeded to: 1637872227
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule
+128: [20:55:08]   done
+128: [20:55:08] -------------------------------------
+128: [20:55:08]     Test multithreading with the pattern FP
+128: reading molecules
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+146: [20:55:08] ********************************************************
+146: [20:55:08] Testing DistGeomHelpers
+146: [20:55:08] 	---------------------------------
+146: [20:55:08] 	 test2 
+146: 
+146: go
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+146: -------------------------------------
+146: 
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing calcGrad.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: 400
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing UFF special cases.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08] UFFTYPER: Unrecognized charge state for atom: 0
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing Issue239.
+108/235 Test  #30: pyForceFieldConstraints ................   Passed    1.34 sec
 test 150
         Start 150: testO3AAlign
 
 150: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/testO3AAlign
 150: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 150: Test timeout computed to be: 1500
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 1
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 5
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 5
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] UFFTYPER: Unrecognized hybridization for atom: 0
-145: [12:07:01] UFFTYPER: Unrecognized atom type: Cu+1 (0)
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 5
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: .[12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: ...[12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-145: ...
-145: ----------------------------------------------------------------------
-145: Ran 19 tests in 0.614s
-145: 
-145: OK
-141: processing
-141:  launch :0
-141:  launch :1
-141:  launch :2
-141:  launch :3
-141: [12:07:01] Rep: 0 Mol:1
-141: [12:07:01] Rep: 0 Mol:0
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 6
-141: [12:07:01] Rep: 0 Mol:2
-141: [12:07:01] Rep: 0 Mol:3
-141: [12:07:01] Rep: 0 Mol:5
-141: [12:07:01] Rep: 0 Mol:4
-141: [12:07:01] Rep: 0 Mol:9
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 6
-141: [12:07:01] Rep: 0 Mol:13
-141: [12:07:01] Rep: 0 Mol:6
-141: [12:07:01] Rep: 0 Mol:10
-141: [12:07:01] Rep: 0 Mol:17
-141: [12:07:01] Rep: 0 Mol:8
-147: [12:07:01] UFFTYPER: Unrecognized charge state for atom: 6
-131/235 Test #145: pyForceFieldHelpers ....................   Passed    1.54 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142: processing
+142:  launch :0
+142:  launch :1
+142:  launch :2
+142:  launch :3
+142:  launch :4
+141: [20:55:08]   done
+141: [20:55:08] -------------------------------------
+141: [20:55:08]     Testing Issue242.
+142:  launch :5
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142:  launch :6
+142:  launch :7
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing calcEnergy with passed coords.
+142:  launch :8
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+128: pass 1
+128:  launch :0
+128:  launch :1
+128:  launch :2
+128:  launch :3
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142:  launch :9
+142:  launch :10
+142:  launch :11
+89: [20:55:08] Explicit valence for atom # 3 Al, 6, is greater than permitted
+109/235 Test #144: testCrystalForceField ..................   Passed    0.16 sec
 test 151
         Start 151: molAlignCatchTest
 
 151: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/molAlignCatchTest
 151: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign
 151: Test timeout computed to be: 1500
-141: [12:07:01] Rep: 0 Mol:12
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Issue252: Bad definitions for Crippen atom types.
-141: [12:07:01] Rep: 0 Mol:16
-148: .[12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of ChiVs.
-141: [12:07:01] Rep: 0 Mol:7
-141: [12:07:01] Rep: 0 Mol:11
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of ChiNs.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of HallKierAlpha.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of Kappa1.
-141: [12:07:01] Rep: 0 Mol:15
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of Kappa2.
-141: [12:07:01] Rep: 0 Mol:20
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of Kappa3.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Crippen atom type calculations.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test ring descriptors
-141: [12:07:01] Rep: 0 Mol:14
-141: [12:07:01] Rep: 0 Mol:19
-141: [12:07:01] Rep: 0 Mol:23
-141: [12:07:01] Rep: 0 Mol:27
-141: [12:07:01] Rep: 0 Mol:18
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test other count descriptors.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test MQN
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test GitHub Issue 56.
-111: [12:07:01] WARNING: not removing hydrogen atom without neighbors
-111: [12:07:01] WARNING: not removing hydrogen atom without neighbors
-111: [12:07:01] WARNING: not removing hydrogen atom without neighbors
-111: [12:07:01] WARNING: not removing hydrogen atom without neighbors
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github92: Bad Crippen atom type for pyrrole H.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github362: order dependence  in Kier-Hall descriptors.
-141: [12:07:01] Rep: 0 Mol:24
-141: [12:07:01] Rep: 0 Mol:31
-141: [12:07:01] Rep: 0 Mol:21
-141: [12:07:01] Rep: 0 Mol:22
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test calculation of spiro and bridgehead counts.
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github694: ExactMolWt ignoring the mass of the electron
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Testing Properties and KitchenSink
-111: [12:07:01] ---Caught keyerror (bad property name)---
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test USR Descriptor
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github #1973: support P and S terms for TPSA calculation
-141: [12:07:01] Rep: 0 Mol:28
-111: [12:07:01]   done
-111: [12:07:01] -------------------------------------
-111: [12:07:01]     Test Github #2948: Empty molecule has non-zero LabuteASA
-111: [12:07:01]   done
-141: [12:07:01] Rep: 0 Mol:26
-132/235 Test #111: testDescriptors ........................   Passed    8.88 sec
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142:  launch :12
+130: [20:55:08]   done
+130: [20:55:08] -------------------------------------
+130: [20:55:08]     Test unfolded version of RDKFP   
+130: [20:55:08] -------------------------------------
+130: [20:55:08] Test topological torsion fp generator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+117: =>start test rdf custom
+117: [20:55:08] test on : 365 molecules done
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing calcGrad.
+142:  launch :13
+142:  launch :14
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+142:  launch :15
+142:  launch :16
+142:  launch :17
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+142:  launch :18
+142:  launch :19
+142:  launch :20
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+142:  launch :21
+142:  launch :22
+142:  launch :23
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  JDQ443_3d.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atropBad1.mrv
+69: 
+69: [20:55:08] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing SFIssue1653802.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:08]   done
+143: [20:55:08] -------------------------------------
+143: [20:55:08]     Testing SFIssue2378119.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:08] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+118: =>start test rdf
+115: [20:55:08] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+118: [20:55:08] test on : 365 molecules done
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:09]   done
+143: [20:55:09] -------------------------------------
+143: [20:55:09]     Test UFF force-field parameter getters.
+143: [20:55:09] -------------------------------------
+143: [20:55:09]     Testing handling missing parameters.
+143: [20:55:09] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [20:55:09] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:09] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+130: [20:55:09]   done
+143: [20:55:09] UFFTYPER: Unrecognized hybridization for atom: 0
+143: [20:55:09] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test Topological Torsions.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test Folded torsions.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test Bulk Topological Torsions.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+110/235 Test #118: testRDF ................................   Passed    0.66 sec
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
 test 152
         Start 152: pyMolAlign
 
 152: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolAlign/Wrap/testMolAlign.py"
 152: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolAlign/Wrap
 152: Test timeout computed to be: 1500
-141: [12:07:01] Rep: 0 Mol:25
-141: [12:07:01] Rep: 0 Mol:30
-148: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 0 Mol:29
-148: ..[12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: processing
-143:  launch :0
-143:  launch :1
-143:  launch :2
-143:  launch :3
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:2
-143: [12:07:02] Rep: 0 Mol:1
-143: [12:07:02] Rep: 0 Mol:0
-151: Randomness seeded to: 2181422121
-151: 198069133
-143: [12:07:02] Rep: 0 Mol:3
-143: [12:07:02] Rep: 0 Mol:5
-148: ..[12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:4
-143: [12:07:02] Rep: 0 Mol:9
-143: [12:07:02] Rep: 0 Mol:13
-148: .[12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:6
-143: [12:07:02] Rep: 0 Mol:17
-143: [12:07:02] Rep: 0 Mol:10
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:8
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:12
-143: [12:07:02] Rep: 0 Mol:16
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:21
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:25
-143: [12:07:02] Rep: 0 Mol:20
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:7
-143: [12:07:02] Rep: 0 Mol:24
-143: [12:07:02] Rep: 0 Mol:29
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:14
-143: [12:07:02] Rep: 0 Mol:11
-151: 177579069
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:18
-143: [12:07:02] Rep: 0 Mol:28
-122: =>start test GETAWAY
-122: [12:07:02] test on : 365 molecules done
-143: [12:07:02] Rep: 0 Mol:15
-143: [12:07:02] Rep: 0 Mol:22
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-133/235 Test #122: testGETAWAY ............................   Passed    6.71 sec
-143: [12:07:02] Rep: 0 Mol:26
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [C:1][NH:2]!@;-[C:3](=[NH2:4])[NH2]: 100 101 102 104, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH2][C:1](=[NH2])[NH:2]!@;-[CH2:3][C:4]: 102 101 100 99, [(1 0), (1 0), (1 2.5), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:09]   done
+143: [20:55:09] -------------------------------------
+143: [20:55:09]     Testing SFIssue3009337.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+134: ..
+134: ----------------------------------------------------------------------
+134: Ran 2 tests in 0.037s
+134: 
+134: OK
+69: Test
+69: 
+69:  RP-6306_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop5.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+143: [20:55:09]   done
+143: [20:55:09] -------------------------------------
+143: [20:55:09]     Test UFF multithreading
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 32 31 30 33, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [OX2:1][CX4:2]!@;-[CX4:3][N:4]: 48 46 45 49, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 36 37 38 39, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 37 38 39 40, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 38 39 40 41, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 97 98 99 100, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4H2:2]!@;-[CX4H2:3][!#1:4]: 98 99 100 101, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 0 1 2 3, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 1 2 4 5, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 20 22 23 24, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 22 23 25 26, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 34 36 37 38, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 66 67 68 69, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 84 85 86 87, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4:2]!@;-[CX4:3][!#1:4]: 96 97 98 99, [(1 0), (1 0), (1 7), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  RP-6306_atropBad1.mrv
+69: 
+69: [20:55:09] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+147: [20:55:09] [C:1][CX4H2:2]!@;-[CX3:3]=[O:4]: 85 86 87 88, [(1 -1), (1 -0.5), (1 -0.2), (1 -0.3), (1 0), (1 -0.3)] 
+147: [20:55:09] [cH1:1][c:2]([cH1])!@;-[CX4H2:3][CX4:4]: 70 69 68 67, [(1 0), (1 3.6), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [*:1][X3,X2:2]=[X3,X2:3][*:4]: 101 102 104 220, [(1 0), (-1 100), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 15 13 12 8, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 22 20 19 15, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H0;r:3][CX4H1:4]: 67 75 77 81, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 4 62 61 60, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 8 6 5 4, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 30 28 27 22, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 36 34 33 30, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 45 43 42 36, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 81 82 84 85, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 93 94 96 97, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 97 105 107 52, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+141: [20:55:09]   done
+141: [20:55:09] -------------------------------------
+141: [20:55:09]     Testing github 308: crash during MMFF parameterization .
+147: [20:55:09] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 90 92 93 94, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 6 5 4 117, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 28 27 22 133, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 34 33 30 144, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 43 42 36 149, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 62 61 60 181, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 82 84 85 202, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 94 96 97 210, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 105 107 52 171, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+69: Test
+69: 
+69:  RP-6306_atropBad2.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:09] -------------------------------------
+141: [20:55:09]     Testing SFIssue1653802.
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 91 90 92 93, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 43 45 49 50, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 52 50 49 45, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 60 64 66 67, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[NX3;r{9-}:3][C:4]: 68 67 66 64, [(1 0), (1 0), (1 1), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+89: [20:55:09] Explicit valence for atom # 4 Al, 6, is greater than permitted
+141: [20:55:09]   done
+141: [20:55:09] -------------------------------------
+141: [20:55:09]     Testing SFIssue2378119.
+147: [20:55:09] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 95 94 93 92, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 51 50 52 107, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [OX2:1][CX4;r{9-}:2]@;-[CX4;r{9-}:3][N:4]: 65 64 60 61, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 50 52 53 54, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 58 59 60 61, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 5 4 62 63, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 27 22 20 21, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 33 30 28 29, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 42 36 34 35, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 49 45 43 44, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 66 67 75 76, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 84 85 90 91, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [NH1:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 96 97 105 106, [(1 0), (-1 3), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+125: Warning: Atom Count for residue ASN39A does not match expected count
+143: generating reference data
+147: -----------
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: [20:55:09]   done
+141: [20:55:09] -------------------------------------
+141: [20:55:09]     Test MMFF force-field parameter getters.
+127: ........
+127: ----------------------------------------------------------------------
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+127: Ran 8 tests in 0.183s
+127: 
+127: OK
+141: [20:55:09] -------------------------------------
+141: [20:55:09]     Test MMFF multithreading
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 10 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 14 12 11 9, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 4 3 2 1, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 16 15 14 12, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 10 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 12 11 9 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 5 4 3 2, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 17 16 15 14, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 0 1 2 3, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 13 12 14 15, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 4 6 7 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 6 7 8 9, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [!#1:1][CX4&r;r{9-}:2]@;-[CX4&r;r{9-}:3][!#1:4]: 7 8 9 10, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 4 6 16 17, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][CX4;r{9-}:2]@;-[CX3;r{9-}:3]=[O:4]: 7 6 4 5, [(1 0), (1 0), (-1 1), (1 0), (1 0), (1 0)] 
+147: -----------
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 13 14 16 3, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$([CX3]=O):1][NX3H1;r{9-}:2]@;-[CX4H2;r{9-}:3][C:4]: 10 12 13 14, [(1 0), (1 0), (1 4), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]@;-[NX3H1;r{9-}:3][!#1:4]: 11 10 12 13, [(-1 100), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] N[C;r{9-}:2](=[O:1])@;-[CH2;r{9-}:3][N:4]: 15 14 13 12, [(1 0), (-1 10), (1 0), (1 0), (1 0), (1 0)] 
+147: -----------
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+141: generating reference data
+147: -----------
+111/235 Test #134: pyTestMHFP .............................   Passed    0.39 sec
 test 153
         Start 153: testFeatures
 
 153: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 153: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures
 153: Test timeout computed to be: 1500
-143: [12:07:02] Rep: 0 Mol:19
-143: [12:07:02] Rep: 0 Mol:30
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:23
-143: [12:07:02] Rep: 0 Mol:27
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-153: [12:07:02] -------------------------------------
-153: [12:07:02] AtomType parser testing.
-153: [12:07:02] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
-153: [12:07:02] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] FeatureDefinition parser testing.
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Test pulling feat defs from a string.
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] FeatureDef functionality testing.
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:02] Rep: 0 Mol:31
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] FeatureFactory testing.
-153: [12:07:02] 1
-153: [12:07:02] 2
-153: [12:07:02] 3
-153: [12:07:02] 4
-153: [12:07:02] 5
-153: [12:07:02] 6
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Feature Location testing.
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Test building a FeatureFactory from a file
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing Issue 224.
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing Issue 225.
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Test Issue346
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Test Issue347
-153: [12:07:02]   done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing Issue 348.
-153: [12:07:02] SMARTS Parse Error: syntax error while parsing: [C[C]
-153: [12:07:02] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing Nested AtomType definitions.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 1 15 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 2 3 5 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 8 7 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 10 11 13 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 17 16 14, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [C:1][C;r{9-}:2](=O)@;-[NX3H1;r:3][CX4H1:4]: 19 20 22 6, [(1 0), (-1 8), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 1 15 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue GLU5A does not match expected count
+89: [20:55:09] Explicit valence for atom # 10 Si, 6, is greater than permitted
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 3 5 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 8 7 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 11 13 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 17 16 14 31, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [$(C=O):1][NX3H1;r{9-}:2]@;-[CX4H1;r{9-}:3][H:4]: 20 22 6 26, [(-1 5), (1 0), (1 0), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 0 1 2 3, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 4 3 2 1, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 9 8 10 11, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 12 11 10 8, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 18 17 19 20, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+147: [20:55:09] [O:1]=[CX3;r{9-}:2]([NH1])@;-[CH2;r{9-}:3][CX3:4]=O: 21 20 19 17, [(1 0), (1 0), (1 2), (1 0), (1 0), (1 0)] 
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+153: [20:55:09] -------------------------------------
+153: [20:55:09] AtomType parser testing.
+139: ........
+139: ----------------------------------------------------------------------
+139: Ran 8 tests in 0.056s
+139: 
+139: OK
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+153: [20:55:09] SMARTS Parse Error: syntax error while parsing: [$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]
+153: [20:55:09] SMARTS Parse Error: Failed parsing SMARTS '[$([!$([NH0])_100;N,O,$([S])_101,$([N,O)_102])_103]' for input: '[$([!$([NH0]);N,O,$([S]),$([N,O)])]'
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] FeatureDefinition parser testing.
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Test pulling feat defs from a string.
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] FeatureDef functionality testing.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+115: Elapsed time: 0.735088 s
+115: Errors:0
+115: [20:55:09] test on : 500 molecules done
+119: =>start test MORSE
+119: =>read file
+119: [20:55:09] test on : 365 molecules done
+153: [20:55:09]   done
+112/235 Test #115: testEEM ................................   Passed    0.77 sec
+153: [20:55:09] -------------------------------------
+153: [20:55:09] FeatureFactory testing.
+153: [20:55:09] 1
+153: [20:55:09] 2
+153: [20:55:09] 3
+153: [20:55:09] 4
+153: [20:55:09] 5
+153: [20:55:09] 6
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Feature Location testing.
+test 154
+        Start 154: pyChemicalFeatures
+
+154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
+154: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
+154: Test timeout computed to be: 1500
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Test building a FeatureFactory from a file
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing Issue 224.
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing Issue 225.
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Test Issue346
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Test Issue347
+153: [20:55:09]   done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing Issue 348.
+153: [20:55:09] SMARTS Parse Error: syntax error while parsing: [C[C]
+153: [20:55:09] SMARTS Parse Error: Failed parsing SMARTS '[C[C]' for input: '[C[C]'
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing Nested AtomType definitions.
 153: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])]
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing Github Issue #252: crash when calling getPos() with no conformer.
-153: [12:07:02]      expect a precondition failure message below
-153: [12:07:02] 
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing Github Issue #252: crash when calling getPos() with no conformer.
+153: [20:55:09]      expect a precondition failure message below
+153: [20:55:09] 
 153: 
 153: ****
 153: Pre-condition Violation
@@ -26971,687 +25751,467 @@
 153:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 153:  2# RDKit::MolChemicalFeature::getPos(int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
 153:  3# RDKit::MolChemicalFeature::getPos() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolChemicalFeatures.so.1
-153:  4# 0x0000556B01AE8E50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  5# 0x0000556B01ADD743 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
-153:  6# 0x00007F9760430CA8 in /lib/x86_64-linux-gnu/libc.so.6
+153:  4# 0x0000560E78EBDE50 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  5# 0x0000560E78EB2743 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  6# 0x00007F98DC633CA8 in /lib/x86_64-linux-gnu/libc.so.6
 153:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-153:  8# 0x0000556B01ADD841 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
+153:  8# 0x0000560E78EB2841 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/testFeatures
 153: ----------
 153: ****
 153: 
-153: [12:07:02]    Done
-153: [12:07:02] -------------------------------------
-153: [12:07:02] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
-153: [12:07:02]   done
-134/235 Test #153: testFeatures ...........................   Passed    0.08 sec
-test 154
-        Start 154: pyChemicalFeatures
-
-154: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py"
-154: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolChemicalFeatures/Wrap
-154: Test timeout computed to be: 1500
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:3
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:7
-141: [12:07:02] Rep: 20 Mol:11
-141: [12:07:02] Rep: 20 Mol:15
-141: [12:07:02] Rep: 20 Mol:19
-141: [12:07:02] Rep: 20 Mol:23
-141: [12:07:02] Rep: 20 Mol:27
-141: [12:07:02] Rep: 20 Mol:31
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:0
-141: [12:07:02] Rep: 20 Mol:4
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:8
-141: [12:07:02] Rep: 20 Mol:12
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:16
-141: [12:07:02] Rep: 20 Mol:20
-141: [12:07:02] Rep: 20 Mol:24
-141: [12:07:02] Rep: 20 Mol:28
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:1
-141: [12:07:02] Rep: 20 Mol:5
-141: [12:07:02] Rep: 20 Mol:9
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:02] Rep: 20 Mol:13
-141: [12:07:02] Rep: 20 Mol:17
-141: [12:07:02] Rep: 20 Mol:21
-141: [12:07:02] Rep: 20 Mol:25
-141: [12:07:02] Rep: 20 Mol:29
-148: [12:07:02] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue GLU150A does not match expected count
-141: [12:07:03] Rep: 20 Mol:2
-141: [12:07:03] Rep: 20 Mol:6
-141: [12:07:03] Rep: 20 Mol:10
-141: [12:07:03] Rep: 20 Mol:14
-141: [12:07:03] Rep: 20 Mol:18
-141: [12:07:03] Rep: 20 Mol:22
-141: [12:07:03] Rep: 20 Mol:26
-141: [12:07:03] Rep: 20 Mol:30
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:03] Rep: 40 Mol:3
-141: [12:07:03] Rep: 40 Mol:7
-141: [12:07:03] Rep: 40 Mol:11
-141: [12:07:03] Rep: 40 Mol:15
-141: [12:07:03] Rep: 40 Mol:19
-141: [12:07:03] Rep: 40 Mol:23
-141: [12:07:03] Rep: 40 Mol:27
-141: [12:07:03] Rep: 40 Mol:31
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-125: Warning: Atom Count for residue ASN157A does not match expected count
-141: [12:07:03] Rep: 40 Mol:1
-141: [12:07:03] Rep: 40 Mol:5
-141: [12:07:03] Rep: 40 Mol:9
-141: [12:07:03] Rep: 40 Mol:13
-141: [12:07:03] Rep: 40 Mol:17
-141: [12:07:03] Rep: 40 Mol:21
-141: [12:07:03] Rep: 40 Mol:25
-141: [12:07:03] Rep: 40 Mol:29
-141: [12:07:03] Rep: 40 Mol:0
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:03] Rep: 40 Mol:4
-141: [12:07:03] Rep: 40 Mol:8
-141: [12:07:03] Rep: 40 Mol:12
-141: [12:07:03] Rep: 40 Mol:16
-141: [12:07:03] Rep: 40 Mol:20
-141: [12:07:03] Rep: 40 Mol:24
-141: [12:07:03] Rep: 40 Mol:28
-126: Warning: Atom Count for residue GLU150A does not match expected count
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:03] Rep: 100 Mol:0
-143: [12:07:03] Rep: 100 Mol:4
-143: [12:07:03] Rep: 100 Mol:8
-143: [12:07:03] Rep: 100 Mol:12
-143: [12:07:03] Rep: 100 Mol:16
-143: [12:07:03] Rep: 100 Mol:20
-143: [12:07:03] Rep: 100 Mol:24
-143: [12:07:03] Rep: 100 Mol:28
-143: [12:07:03] Rep: 100 Mol:1
-143: [12:07:03] Rep: 100 Mol:5
-143: [12:07:03] Rep: 100 Mol:9
-143: [12:07:03] Rep: 100 Mol:13
-143: [12:07:03] Rep: 100 Mol:17
-143: [12:07:03] Rep: 100 Mol:21
-143: [12:07:03] Rep: 100 Mol:25
-143: [12:07:03] Rep: 100 Mol:29
-143: [12:07:03] Rep: 100 Mol:3
-143: [12:07:03] Rep: 100 Mol:7
-126: Warning: Atom Count for residue ASN157A does not match expected count
-143: [12:07:03] Rep: 100 Mol:11
-143: [12:07:03] Rep: 100 Mol:15
-143: [12:07:03] Rep: 100 Mol:19
-143: [12:07:03] Rep: 100 Mol:23
-143: [12:07:03] Rep: 100 Mol:27
-141: [12:07:03] Rep: 60 Mol:3
-143: [12:07:03] Rep: 100 Mol:31
-141: [12:07:03] Rep: 60 Mol:7
-141: [12:07:03] Rep: 60 Mol:11
-141: [12:07:03] Rep: 60 Mol:15
-141: [12:07:03] Rep: 60 Mol:19
-141: [12:07:03] Rep: 60 Mol:23
-141: [12:07:03] Rep: 60 Mol:27
-141: [12:07:03] Rep: 60 Mol:31
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:03] Rep: 60 Mol:1
-141: [12:07:03] Rep: 60 Mol:5
-141: [12:07:03] Rep: 60 Mol:9
-141: [12:07:03] Rep: 60 Mol:13
-75: [12:07:03] Finished: testSmiCorrectness()
-75: [12:07:03] -----------------------------------------
-75: 
-75: [12:07:03] 
-75: -----------------------------------------
-141: [12:07:03] Rep: 60 Mol:17
-141: [12:07:03] Rep: 60 Mol:21
-148: [12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:03] Rep: 60 Mol:25
-141: [12:07:03] Rep: 60 Mol:29
-154: .[12:07:03] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-75: [12:07:04] Spurious data before the first property will be ignored
-75: [12:07:04] Property <ID> will be truncated after the first blank line
-75: [12:07:04] Property <ID> will be truncated after the first blank line
-75: [12:07:04] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-141: [12:07:04] Rep: 60 Mol:0
-141: [12:07:04] Rep: 60 Mol:4
-141: [12:07:04] Rep: 60 Mol:8
-141: [12:07:04] Rep: 60 Mol:12
-141: [12:07:04] Rep: 60 Mol:16
-141: [12:07:04] Rep: 60 Mol:20
-141: [12:07:04] Rep: 60 Mol:24
-141: [12:07:04] Rep: 60 Mol:28
-141: [12:07:04] Rep: 40 Mol:2
-141: [12:07:04] Rep: 40 Mol:6
-141: [12:07:04] Rep: 40 Mol:10
-141: [12:07:04] Rep: 40 Mol:14
-141: [12:07:04] Rep: 40 Mol:18
-141: [12:07:04] Rep: 40 Mol:22
-141: [12:07:04] Rep: 40 Mol:26
-141: [12:07:04] Rep: 40 Mol:30
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:04] Rep: 80 Mol:3
-141: [12:07:04] Rep: 80 Mol:7
-141: [12:07:04] Rep: 80 Mol:11
-141: [12:07:04] Rep: 80 Mol:15
-141: [12:07:04] Rep: 80 Mol:19
-141: [12:07:04] Rep: 80 Mol:23
-141: [12:07:04] Rep: 80 Mol:27
-141: [12:07:04] Rep: 80 Mol:31
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:04] Rep: 80 Mol:0
-141: [12:07:04] Rep: 80 Mol:4
-141: [12:07:04] Rep: 80 Mol:8
-141: [12:07:04] Rep: 80 Mol:12
-141: [12:07:04] Rep: 80 Mol:16
-141: [12:07:04] Rep: 80 Mol:20
-141: [12:07:04] Rep: 80 Mol:24
-141: [12:07:04] Rep: 80 Mol:28
-154: ..[12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-154: .[12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:04] Rep: 100 Mol:2
-143: [12:07:04] Rep: 100 Mol:6
-143: [12:07:04] Rep: 100 Mol:10
-154: .[12:07:04] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
-154: [12:07:04] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
-154: ...
-154: ----------------------------------------------------------------------
-154: Ran 9 tests in 0.515s
-154: 
-154: OK
-143: [12:07:04] Rep: 100 Mol:14
-143: [12:07:04] Rep: 100 Mol:18
-143: [12:07:04] Rep: 100 Mol:22
-143: [12:07:04] Rep: 100 Mol:26
-143: [12:07:04] Rep: 100 Mol:30
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:04] Rep: 80 Mol:1
-141: [12:07:04] Rep: 80 Mol:5
-141: [12:07:04] Rep: 80 Mol:9
-141: [12:07:04] Rep: 80 Mol:13
-141: [12:07:04] Rep: 80 Mol:17
-141: [12:07:04] Rep: 80 Mol:21
-141: [12:07:04] Rep: 80 Mol:25
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:04] Rep: 80 Mol:29
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:04] Rep: 60 Mol:2
-141: [12:07:04] Rep: 60 Mol:6
-141: [12:07:04] Rep: 60 Mol:10
-141: [12:07:04] Rep: 60 Mol:14
-141: [12:07:04] Rep: 60 Mol:18
-141: [12:07:04] Rep: 60 Mol:22
-141: [12:07:04] Rep: 60 Mol:26
-135/235 Test #154: pyChemicalFeatures .....................   Passed    2.36 sec
-141: [12:07:04] Rep: 60 Mol:30
+153: [20:55:09]    Done
+153: [20:55:09] -------------------------------------
+153: [20:55:09] Testing github 2077: add confId argument to MolChemicalFeatureFactor::getFeaturesForMol()
+153: [20:55:09]   done
+69: Test
+69: 
+69:  RP-6306_3d.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop5.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+113/235 Test #153: testFeatures ...........................   Passed    0.04 sec
 test 155
         Start 155: testShapeHelpers
 
 155: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/testShapeHelpers
 155: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers
 155: Test timeout computed to be: 1500
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-155: ***********************************************************
-155: Testing ShapeHelpers
-155: 	---------------------------------
-155: 	 test1Encode 
-155: 
-155: 	---------------------------------
-155: 	 test2Compare 
-155: 
-155: 	---------------------------------
-155: 	 testGithub4364 
-155: 
-155: ***********************************************************
-136/235 Test #155: testShapeHelpers .......................   Passed    0.18 sec
+69: Test
+69: 
+69:  Sotorasib_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+114/235 Test #119: testMORSE ..............................   Passed    0.76 sec
 test 156
         Start 156: pyShapeHelpers
 
 156: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py"
 156: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ShapeHelpers/Wrap
 156: Test timeout computed to be: 1500
-148: [12:07:04] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[12:07:05] Molecule does not have explicit Hs. Consider calling AddHs()
-141: [12:07:05] Rep: 80 Mol:2
-141: [12:07:05] Rep: 80 Mol:6
-141: [12:07:05] Rep: 80 Mol:10
-141: [12:07:05] Rep: 80 Mol:14
-141: [12:07:05] Rep: 80 Mol:18
-141: [12:07:05] Rep: 80 Mol:22
-141: [12:07:05] Rep: 80 Mol:26
-141: [12:07:05] Rep: 80 Mol:30
-146: [12:07:00] 	---------------------------------
-146: [12:07:00] 	 test3 
-146: 
-146: [12:07:00] 	---------------------------------
-146: [12:07:00] 	 test4 
-146: 
-146: [12:07:00] 	---------------------------------
-146: [12:07:00] 	 test5 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test6 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test15Dists 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test Issue 215 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testMultipleConfs 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testMultipleConfsExpTors 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue227 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue236 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testOrdering 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue244 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue251 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue276 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue284 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue285 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testIssue355 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 testRandomCoords 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 1989539 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 2091864 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test constrained embedding 
-146: 
-146: [12:07:05] ssd: 0.0752641
-146: [12:07:05] ssd: 0.0659363
-147: [12:07:05] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-75: [12:07:05] Finished: testSDCorrectness()
-75: [12:07:05] -----------------------------------------
-75: 
-137/235 Test  #75: testMultithreadedMolSupplier ...........   Passed   16.04 sec
+149: ***********************************************************
+149: Testing MolAlign
+149: 	---------------------------------
+149: 	 test1MolAlign 
+149: 
+149: 	---------------------------------
+149: 	 test1GetBestRMS 
+149: 
+149: 	---------------------------------
+149: 	 test1MolWithQueryAlign 
+149: 
+149: 	---------------------------------
+149: 	 test2AtomMap 
+149: 
+149: 	---------------------------------
+149: 	 test3Weights 
+149: 
+149: 	---------------------------------
+149: 	 testIssue241 
+149: 
+149: ***********************************************************
+115/235 Test #149: testMolAlign ...........................   Passed    0.21 sec
 test 157
         Start 157: testMolCatalog
 
 157: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/testMolCatalog
 157: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog
 157: Test timeout computed to be: 1500
-141: [12:07:05]   done
-141: [12:07:05] -------------------------------------
-141: [12:07:05]     Test MMFF multithreading2
-138/235 Test #157: testMolCatalog .........................   Passed    0.07 sec
+69: Test
+69: 
+69:  Sotorasib_atropBad2.mrv
+69: 
+69: [20:55:09] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
+116/235 Test #127: pyMolDescriptors3D .....................   Passed    0.58 sec
 test 158
         Start 158: pyMolCatalog
 
 158: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolCatalog/Wrap/rough_test.py"
 158: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolCatalog/Wrap
 158: Test timeout computed to be: 1500
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 2091974 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 2835784 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 3019283 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 3238580 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test sf.net issue 3483968 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test github issue 55 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test1 
-146: 
-146: [12:07:05] 	---------------------------------
-146: [12:07:05] 	 test multi-threading 
-146: 
-146: building molecules
-147: [12:07:05] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-146: generating reference data
-147: [12:07:05] UFFTYPER: Warning: hybridization set to SP3 for atom 6
-148: [12:07:05] Molecule does not have explicit Hs. Consider calling AddHs()
-143: [12:07:05]   done
-143: [12:07:05] -------------------------------------
-143: [12:07:05]     Test UFF multithreading2
-156: .
-156: ----------------------------------------------------------------------
-156: Ran 1 test in 0.402s
-156: 
-156: OK
-156: Testing Shape Helpers wrapper
-147: [12:07:06] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-147: [12:07:06] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-139/235 Test #156: pyShapeHelpers .........................   Passed    1.21 sec
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test Rooted Topological Torsions.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test ignoring atoms in Topological Torsions.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test Topological Torsions including info about chirality.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test GitHub Issue 25: fingerprint backwards compatibility.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test convenience and bulk fp calculation functions
+136: .......
+136: ----------------------------------------------------------------------
+136: Ran 7 tests in 0.165s
+136: 
+136: OK
+151: Randomness seeded to: 1271357233
+151: 74434672
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ..[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+117/235 Test #157: testMolCatalog .........................   Passed    0.06 sec
 test 159
         Start 159: moldraw2DTest1
 
 159: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTest1
 159: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 159: Test timeout computed to be: 1500
-147: [12:07:06] UFFTYPER: Warning: hybridization set to SP3 for atom 11
-159:  ----------------- Test 1
-159: file test1_5.svg gave hash 2383324771U not the expected 2811480876U
-159:  Done
-159:  ----------------- Test 2
-159: file test2_1.png gave hash 3164573255U not the expected 638584804U
-159: file test2_2.png gave hash 3715219030U not the expected 610424244U
-159:  Done
-159:  ----------------- Test 4
-159: file test4_1.png gave hash 3656546255U not the expected 3993974247U
-159:  Done
-159:  ----------------- Test 5
-159: file test5_1.png gave hash 3659160374U not the expected 571291290U
-159: file test5_2.png gave hash 3029052427U not the expected 97265124U
-159: file test5_3.png gave hash 979411683U not the expected 606188176U
-159:  Done
-159:  ----------------- Test 6 (atom labels)
-159:  Done
-159:  ----------------- Test 7 (backgrounds)
-159: file test7_1.png gave hash 37955190U not the expected 1322246680U
-159: file test7_2.png gave hash 280222352U not the expected 1499012715U
-159:  Done
-159:  ----------------- Test8: PrepareMolDrawing
-159:  Done
-159:  ----------------- Test multi-threaded drawing
-159: reading molecules
-148: [12:07:06] Molecule does not have explicit Hs. Consider calling AddHs()
-159: generating reference drawings
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
-141: [12:07:06]   done
-141: [12:07:06] -------------------------------------
-141: [12:07:06]     Test MMFF multithreading3
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
-158: .
-158: ----------------------------------------------------------------------
-158: Ran 1 test in 0.041s
-158: 
-158: OK
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test unfolded version of RDKFP   
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Test bitinfo of RDKFP   
-128:    562:  [ 2 ], 
-128:    709:  [ 0 1 ], 
-128:    1118:  [ 0 1 2 ], 
-128:    1183:  [ 1 2 ], 
-128:    1233:  [ 0 1 2 ], 
-128:    1308:  [ 0 ],  [ 1 ], 
-128:    1339:  [ 2 ], 
-128:    1728:  [ 1 2 ], 
-128:    1772:  [ 0 ],  [ 1 ], 
-128:    1813:  [ 0 1 ], 
-128:   ------------ 
-128: [12:07:06] -------------------------------------
-128: [12:07:06]     Single atoms setting radius 1 bits in Morgan fingerprints  
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #879: Pattern fingerprint should set bits for single-atom fragments.
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use AtomPairGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #2115: BitInfo not complete for RDKFingerprint
-128: [12:07:06]   done
-128: [12:07:06] -------------------------------------
-128: [12:07:06] Github #3723: Fingerprint crash for mols with Zero order bonds
-128: [12:07:06]   done
-140/235 Test #128: testFingerprints .......................   Passed    9.73 sec
+133: ..............
+133: ----------------------------------------------------------------------
+133: Ran 14 tests in 0.144s
+133: 
+133: OK
+69: Test
+69: 
+69:  Sotorasib_3d.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+125: Warning: Atom Count for residue GLU53A does not match expected count
+155: ***********************************************************
+155: Testing ShapeHelpers
+155: 	---------------------------------
+155: 	 test1Encode 
+155: 
+155: 	---------------------------------
+155: 	 test2Compare 
+155: 
+155: 	---------------------------------
+155: 	 testGithub4364 
+155: 
+155: ***********************************************************
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+128: pass 2
+128:  launch :0
+128:  launch :1
+128:  launch :2
+128:  launch :3
+151: 43270606
+118/235 Test #139: pyMolTransforms ........................   Passed    0.46 sec
+119/235 Test #155: testShapeHelpers .......................   Passed    0.09 sec
 test 160
         Start 160: moldraw2DTestCatch
 
 160: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 160: Test timeout computed to be: 1500
-148: [12:07:07] Molecule does not have explicit Hs. Consider calling AddHs()
-160: Randomness seeded to: 1044665564
-160: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
-141/235 Test #158: pyMolCatalog ...........................   Passed    1.64 sec
 test 161
         Start 161: moldraw2DRxnTest1
 
 161: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DRxnTest1
 161: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D
 161: Test timeout computed to be: 1500
-159: processing
-159:  launch :0
-159:  launch :1
-159:  launch :2
-159:  launch :3
-161:  ----------------- Test 1
-143: [12:07:07]   done
-143: [12:07:07] -------------------------------------
-143: [12:07:07]     Test UFF multithreading3
-161: file rxn_test1_1.png gave hash 196847225U not the expected 801892091U
-160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
-161: file rxn_test1_2.png gave hash 1760761969U not the expected 507435337U
-160: file contourMol_2.svg gave hash 4241964660U not the expected 1815941817U
-161: file rxn_test1_3.png gave hash 3097655468U not the expected 1590809137U
-160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
-160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
-161: file rxn_test1_4.png gave hash 1178565194U not the expected 1766700542U
-160: file contourMol_5.svg gave hash 3954963517U not the expected 3792684719U
-161: file rxn_test1_5.png gave hash 2486693442U not the expected 2552100594U
-151: 5379062989
-148: [12:07:07] Molecule does not have explicit Hs. Consider calling AddHs()
-161: file rxn_test1_6.png gave hash 3683203876U not the expected 3791582903U
-160: file testGithub3226_1.png gave hash 3357385997U not the expected 3165135374U
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-160: file testGithub3226_2.png gave hash 1415443727U not the expected 643975155U
-161: file rxn_test1_7.png gave hash 1361790131U not the expected 1461397406U
-161: file rxn_test1_7.svg gave hash 2324077060U not the expected 1831465890U
-161:  Done
-161:  ----------------- Test 2: some examples that caused problems in testing
-160: file testGithub3226_3.png gave hash 2009594401U not the expected 3119571946U
-161: file rxn_test2_1.png gave hash 700636031U not the expected 3551633840U
-160: file testPNGMetadata_1.png gave hash 1215431680U not the expected 997629701U
-161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
-161: file rxn_test2_2_1.png gave hash 766587530U not the expected 1268122583U
-148: [12:07:08] Molecule does not have explicit Hs. Consider calling AddHs()
-161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
-160: file testPNGMetadata_2.png gave hash 421119850U not the expected 1797853056U
-29: All 191 tests passed
-141: [12:07:08]   done
-141: [12:07:08] -------------------------------------
-141: [12:07:08]     Testing github 162: Incorrect SMILES after MMFF parameterization .
-141: [12:07:08]   done
-141: [12:07:08] -------------------------------------
-141: [12:07:08]     Testing github 224: crash during MMFF parameterization .
-141: [12:07:08]   done
-141: [12:07:08] -------------------------------------
-141: [12:07:08]     Testing github6728: crash due to missing stretch-bend params.
-142/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    9.13 sec
+70: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:09]  deprecated group abbreviation ignored on line 24
+109: [20:55:09] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007F48DA76CDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x00005600E0CE9183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x00005600E0CE6731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007F48D9A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x00005600E0CE6861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+109: [20:55:09] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense no new line
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007F48DA76CDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x00005600E0CE9183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x00005600E0CE6731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007F48D9A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x00005600E0CE6861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+109: [20:55:09] 
+109: 
+109: ****
+109: Invariant Violation
+109: nonsense with tab
+109: Violation occurred on line 52 in file ./Code/GraphMol/FragCatalog/FragCatalogUtils.cpp
+109: Failed Expression: token != tokens.end()
+109: ----------
+109: Stacktrace:
+109:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+109:  2# 0x00007F48DA76CDFD in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  3# RDKit::readFuncGroups(std::istream&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFragCatalog.so.1
+109:  4# 0x00005600E0CE9183 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  5# 0x00005600E0CE6731 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109:  6# 0x00007F48D9A33CA8 in /lib/x86_64-linux-gnu/libc.so.6
+109:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+109:  8# 0x00005600E0CE6861 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FragCatalog/testFragCatalog
+109: ----------
+109: ****
+109: 
+120/235 Test #109: testFragCatalog ........................   Passed    0.95 sec
+121/235 Test #136: pyPartialCharges .......................   Passed    0.51 sec
 test 162
         Start 162: pyMolDraw2D
 
 162: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py"
 162: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/Wrap
 162: Test timeout computed to be: 1500
-161: file rxn_test2_2_2.png gave hash 1252117625U not the expected 82821108U
-161: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
-161: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
-161: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
-117: =>start test GETAWAY custom
-117: [12:07:08] test on : 365 molecules done
-161: file rxn_test2_2_3.png gave hash 3797481496U not the expected 3828365604U
-143/235 Test #117: testRDFcustom ..........................   Passed   14.14 sec
 test 163
         Start 163: testFMCS
 
 163: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/testFMCS
 163: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS
 163: Test timeout computed to be: 1500
-143: [12:07:08]   done
-143: [12:07:08] -------------------------------------
-143: [12:07:08]     Testing GitHubIssue62.
-143: [12:07:08] beta-lactam 39.6387
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-143: [12:07:08] cyclopropanone 174.698
-143: [12:07:08] aziridine 337.986
-160: file testHandDrawn-1.svg gave hash 2072486955U not the expected 2253418236U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-143: [12:07:08] aziridinone 115.248
-161: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
-143: [12:07:08] isobutene 2.48217
-143: [12:07:08] acetone 1.91788
-160: file testHandDrawn-1.png gave hash 2810773836U not the expected 3894611804U
-143: [12:07:08] cyclopentanone 10.1648
-143: [12:07:08] cyclopropene 99.4921
-143: [12:07:08] cyclobutene 41.0156
-161: file rxn_test2_2_4.png gave hash 1813989566U not the expected 1230108677U
-143: [12:07:08] cyclopropane 267.236
-143: [12:07:08] gamma-lactam 15.7471
-161:  Done
-161:  ----------------- Test 3: test reactant highlighting
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-2.svg gave hash 1534109833U not the expected 794717511U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161: file rxn_test3_1.png gave hash 887759826U not the expected 4189980366U
-161:  Done
-161:  ----------------- Test 4: some examples from SMARTS in testing
-161: draw!
-160: file testHandDrawn-2.png gave hash 3255836690U not the expected 1443443188U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-3.png gave hash 1999104941U not the expected 865629432U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
-160: [12:07:08] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:08] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-161: file rxn_test4_1.png gave hash 2871076982U not the expected 2745201873U
-160: file testHandDrawn-4.png gave hash 1317783250U not the expected 3919767093U
-161:  done
-143: [12:07:08] trans-2,3-diphenylcyclopropan-1-one 203.398
-161: file rxn_test4_2.png gave hash 424710428U not the expected 3094925886U
-161:  Done
-144/235 Test #161: moldraw2DRxnTest1 ......................   Passed    1.86 sec
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [20:55:09] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x00007F37B5CC8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x00007F37B5CD1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x00007F37B5CD216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x00005577C8635CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x00005577C869C492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x00005577C861C9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x00007F37B5233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70: 14# 0x00005577C861CB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+147: [20:55:09] UFFTYPER: Unrecognized atom type: Pt5+2 (1)
+159:  ----------------- Test 1
+142: done
+69: Test
+69: 
+69:  mrtx1719_3d.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+148: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 1
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 1
+142: [20:55:09]   done
+122/235 Test #133: pyTestGenerator ........................   Passed    0.58 sec
 test 164
         Start 164: pyFMCS
 
 164: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/FMCS/Wrap/testFMCS.py"
 164: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Wrap
 164: Test timeout computed to be: 1500
-151: 1074925026
-151: ===============================================================================
-151: All tests passed (73 assertions in 3 test cases)
-151: 
-145/235 Test #151: molAlignCatchTest ......................   Passed    7.29 sec
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 1
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+161:  ----------------- Test 1
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] UFFTYPER: Unrecognized hybridization for atom: 0
+145: [20:55:09] UFFTYPER: Unrecognized atom type: Cu+1 (0)
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: ..[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: ...[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: ..[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+159: file test1_5.svg gave hash 2383324771U not the expected 2811480876U
+159:  Done
+159:  ----------------- Test 2
+125: Warning: Atom Count for residue ARG64A does not match expected count
+148: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+89: [20:55:09] Explicit valence for atom # 2 O, 4, is greater than permitted
+161: file rxn_test1_1.png gave hash 196847225U not the expected 801892091U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: Randomness seeded to: 1892574463
+160: file testAtomTags_3.svg gave hash 1931256064U not the expected 2244078420U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+145: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+123/235 Test #142: testMMFFForceFieldHelpersMultiThread ...   Passed    0.50 sec
 test 165
         Start 165: FMCStest
 
 165: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test/FMCStest
 165: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FMCS/Test
 165: Test timeout computed to be: 1500
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+89: [20:55:09] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:55:09] Explicit valence for atom # 3 Be, 4, is greater than permitted
+159: file test2_1.png gave hash 3164573255U not the expected 638584804U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+161: file rxn_test1_2.png gave hash 1760761969U not the expected 507435337U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: processing
+143:  launch :0
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143:  launch :1
+143:  launch :2
+143:  launch :[20:55:09] Rep: 0 Mol:1
+159: file test2_2.png gave hash 3715219030U not the expected 610424244U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:[20:55:09] Rep: 02
+143:  Mol:0
+143: [20:55:09] Rep: 0 Mol:5
+143: [20:55:09] Rep: 0 Mol:9
+143: 3
+89: [20:55:09] Explicit valence for atom # 27 P, 6, is greater than permitted
+143: [20:55:09] Rep: 0 Mol:3
+145: ...
+145: ----------------------------------------------------------------------
+145: Ran 19 tests in 0.184s
+145: 
+145: OK
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 5
+143: [20:55:09] Rep: 0 Mol:13
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:4
 165: fopen testChEMBL_Txt(): No such file or directory
+161: file rxn_test1_3.png gave hash 3097655468U not the expected 1590809137U
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 5
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:17
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -28094,7 +26654,6 @@
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
-143: [12:07:09] cis-2,3-diphenylcyclopropan-1-one 206.852
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -29351,6 +27910,65 @@
 165: 
 165: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt
 165: 
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  FalseAtropisomer.mrv
+69: 
+69: Test
+69: 
+69:  AtropEnhancedStereo.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChirals.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced2.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced3.mrv
+69: 
+69: Test
+69: 
+69:  AtropManyChiralsEnhanced4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d_chiral.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_3d.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop5.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 165: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txtfopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
 165: fopen testChEMBL_Txt(): No such file or directory
@@ -29617,55 +28235,436 @@
 165: 
 165: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi
 165: ERROR: RDKit could not load input file
-146/235 Test #165: FMCStest ...............................   Passed    0.08 sec
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file contourMol_1.svg gave hash 4125787245U not the expected 3634867913U
+124/235 Test #165: FMCStest ...............................   Passed    0.05 sec
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
 test 166
         Start 166: molHashCatchTest
 
 166: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/molHashCatchTest
 166: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash
 166: Test timeout computed to be: 1500
-143: [12:07:09] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
-143: [12:07:09] cyclopropylidencyclobutane 218.879
-143: [12:07:09] diphenylmethylidencyclobutane 79.6139
-143: [12:07:09]   done
-143: [12:07:09] -------------------------------------
-143: [12:07:09]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
-143: [12:07:09]   done
-143: [12:07:09] -------------------------------------
-143: [12:07:09]     Test square planar complexes
-143: [12:07:09]   done
-143: [12:07:09] -------------------------------------
-143: [12:07:09]     Test octahedral complexes
-143: [12:07:09]   done
-147/235 Test #143: testUFFForceFieldHelpers ...............   Passed    9.71 sec
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:6
+143: [20:55:09] Rep: 0 Mol:21
+143: [20:55:09] Rep: 0 Mol:7
+143: [20:55:09] Rep: 0 Mol:10
+143: [20:55:09] Rep: 0 Mol:11
+161: file rxn_test1_4.png gave hash 1178565194U not the expected 1766700542U
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 5
+160: file contourMol_2.svg gave hash 4241964660U not the expected 1815941817U
+143: [20:55:09] Rep: 0 Mol:25
+70: [20:55:09] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [20:55:09] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+143: [20:55:09] Rep: 0 Mol:15
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:8
+143: [20:55:09] Rep: 0 Mol:29
+161: file rxn_test1_5.png gave hash 2486693442U not the expected 2552100594U
+160: file contourMol_3.svg gave hash 1333854566U not the expected 2579392727U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:19
+160: file contourMol_4.svg gave hash 4249475618U not the expected 2914799663U
+143: [20:55:09] Rep: 0 Mol:12
+143: [20:55:09] Rep: 0 Mol:23
+159:  Done
+159:  ----------------- Test 4
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:27
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  BMS-986142_atrop6.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop7.mrv
+69: 
+69: Test
+69: 
+69:  BMS-986142_atrop8.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+160: file contourMol_5.svg gave hash 3954963517U not the expected 3792684719U
+143: [20:55:09] Rep: 0 Mol:16
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:31
+125/235 Test #145: pyForceFieldHelpers ....................   Passed    0.56 sec
 test 167
         Start 167: pyMolHash
 
 167: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolHash/Wrap/testMolHash.py"
 167: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolHash/Wrap
 167: Test timeout computed to be: 1500
-166: Randomness seeded to: 3409371090
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  BMS-986142_atropBad2.mrv
+69: 
+69: [20:55:09] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 29
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:20
+143: [20:55:09] Rep: 0 Mol:14
+161: file rxn_test1_6.png gave hash 3683203876U not the expected 3791582903U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+159: file test4_1.png gave hash 3656546255U not the expected 3993974247U
+159:  Done
+159:  ----------------- Test 5
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:24
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:18
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+143: [20:55:09] Rep: 0 Mol:28
+160: file testGithub3226_1.png gave hash 3357385997U not the expected 3165135374U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+108: .............[20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+143: [20:55:09] Rep: 0 Mol:22
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+143: [20:55:09] Rep: 0 Mol:26
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+160: file testGithub3226_2.png gave hash 1415443727U not the expected 643975155U
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+161: file rxn_test1_7.png gave hash 1361790131U not the expected 1461397406U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+161: file rxn_test1_7.svg gave hash 2324077060U not the expected 1831465890U
+108: [20:55:09] dasfsadf
+161:  Done
+161:  ----------------- Test 2: some examples that caused problems in testing
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+159: file test5_1.png gave hash 3659160374U not the expected 571291290U
+108: [20:55:09] SMILES Parse Error: syntax error while parsing: ---
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] ---
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES '---' for input: '---'
+108: [20:55:09] dasfsadf
+143: [20:55:09] Rep: 0 Mol:30
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testGithub3226_3.png gave hash 2009594401U not the expected 3119571946U
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+126: Warning: Atom Count for residue ASN39A does not match expected count
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+70: ----------------------------------
+70: ----------------------------------
+159: file test5_2.png gave hash 3029052427U not the expected 97265124U
+69: Test
+69: 
+69:  JDQ443_3d.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  JDQ443_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 17 21
+70: [20:55:09] 
+70: 
+70: ****
+161: file rxn_test2_1.png gave hash 700636031U not the expected 3551633840U
+70: Pre-condition Violation
+70: rlabel out of range for MDL files
+70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
+70: Failed Expression: rlabel >= 0 && rlabel < 100
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+70:  3# 0x00005577C864309F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x00005577C869C50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x00005577C861C9B3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x00007F37B5233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70:  8# 0x00005577C861CB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+160: file testPNGMetadata_1.png gave hash 1215431680U not the expected 997629701U
+70: [20:55:09] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+125: Warning: Atom Count for residue LYS80A does not match expected count
+161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>CC(C)[c:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1	CN1CCC(CC1)N(C)S(=O)(=O)c2ccccc2	CC(C)c1ccc(cc1)S(=O)(=O)N(C)C2CCN(CC2)C
+159: file test5_3.png gave hash 979411683U not the expected 606188176U
+159:  Done
+159:  ----------------- Test 6 (atom labels)
+166: Randomness seeded to: 1454387502
 166: ===============================================================================
 166: All tests passed (363 assertions in 14 test cases)
 166: 
-148/235 Test #166: molHashCatchTest .......................   Passed    0.24 sec
+126/235 Test #166: molHashCatchTest .......................   Passed    0.14 sec
 test 168
         Start 168: testMMPA
 
 168: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/testMMPA
 168: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA
 168: Test timeout computed to be: 1500
+161: file rxn_test2_2_1.png gave hash 766587530U not the expected 1268122583U
+159:  Done
+159:  ----------------- Test 7 (backgrounds)
+69: Test
+69: 
+69:  RP-6306_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  RP-6306_atrop5.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 6
+161: 3 [cH:1]1[cH:2][cH:3][c:4][cH:5][cH:6]1>>[cH:3]1[cH:2][c:1]([cH:6][cH:5][c:4]1)Cl	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccccc4	Cc1cccc(c1C)N2CCN(CC2)CCCNC(=O)c3cc([nH]c3C)c4ccc(cc4)Cl
+69: Test
+69: 
+69:  RP-6306_atropBad1.mrv
+69: 
+69: [20:55:09] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 2 8
+161: file rxn_test2_2_2.png gave hash 1252117625U not the expected 82821108U
+154: ..[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+159: file test7_1.png gave hash 37955190U not the expected 1322246680U
+69: Test
+69: 
+69:  RP-6306_atropBad2.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 2 ignored
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 2 8
+154: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+158: .
+158: ----------------------------------------------------------------------
+158: Ran 1 test in 0.016s
+158: 
+158: OK
+161: 2 Cc1c(cc([nH]1)[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]>>CCc1nc(c(n1[c:1]2[cH:2][cH:3][cH:4][cH:5][cH:6]2)C)[C:7](=[O:8])[NH:9][CH2:10][CH2:11]	Cc1c(cc([nH]1)c2ccccc2)C(=O)NCCN3CCN(C
+161: 2 C3)c4cccc(c4Cl)Cl	CCc1nc(c(n1c2ccccc2)C)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl
+161: 3 [c:1][C:2](=[O:3])[NH:4]CCC[CH2:5][N:6]([CH2:7])[CH2:8]>>[c:1][C:2](=[O:3])[NH:4]C[CH2:5][N:6]([CH2:7])[CH2:8]	CCCn1c(c(cc1c2ccccc2)C(=O)NCCCCN3CCN(CC3)c4cccc(c4Cl)Cl)C	CCCn1c(c(cc1c2ccccc2)C(=O)NCCN3CCN(CC3)c4cccc(c4Cl)Cl)C
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+154: .[20:55:09] SMARTS Parse Error: syntax error while parsing: [N,O;!HQ]
+154: [20:55:09] SMARTS Parse Error: Failed parsing SMARTS '[N,O;!HQ]' for input: '[N,O;!HQ]'
+154: ...
+154: ----------------------------------------------------------------------
+154: Ran 9 tests in 0.122s
+154: 
+154: OK
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 6
+159: file test7_2.png gave hash 280222352U not the expected 1499012715U
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.009888 seconds
+168: Time elapsed 0.005643 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
 168:  2: NOREF. Reference data NOT LISTED in test case.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
 168:  3: res= O=C(Nc1ccccc1[*:1])[*:2],C[*:1].C[C:3]([NH+]1CCCC1)[*:2]
 168:  3: NOREF. Reference data NOT LISTED in test case.
+159:  Done
+159:  ----------------- Test8: PrepareMolDrawing
+161: file rxn_test2_2_3.png gave hash 3797481496U not the expected 3828365604U
 168:  4: res= O=C(Nc1ccccc1[*:1])[C:0]([NH+]1CCCC1)[*:2],C[*:1].C[*:2]
 168:  4: NOREF. Reference data NOT LISTED in test case.
+159:  Done
+159:  ----------------- Test multi-threaded drawing
+159: reading molecules
 168:  5: res= O=C(Nc1ccccc1[*:1])[C:0]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].C[*:2]
 168:  5: NOREF. Reference data NOT LISTED in test case.
 168:  6: res= C[C:0](C(=O)Nc1ccccc1[*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
@@ -29676,6 +28675,7 @@
 168:  8: NOREF. Reference data NOT LISTED in test case.
 168:  9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2]
 168:  9: NOREF. Reference data NOT LISTED in test case.
+160: file testPNGMetadata_2.png gave hash 421119850U not the expected 1797853056U
 168: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3]
 168: 10: NOREF. Reference data NOT LISTED in test case.
 168: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2]
@@ -29686,6 +28686,7 @@
 168: 13: NOREF. Reference data NOT LISTED in test case.
 168: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2]
 168: 14: NOREF. Reference data NOT LISTED in test case.
+161: 3 [CH3:1]c1c(cc(n1[CH3:2])C(C)(C)C)[C:3]>>[CH3:2]c1c(c(nc(n1)[CH3:1])[C:3])OC	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3cc(n(c3C)C)C(C)(C)C	Cc1cccc(c1C)N2CCN(CC2)CCNC(=O)c3c(c(nc(n3)C)C)OC
 168: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1]
 168: 15: NOREF. Reference data NOT LISTED in test case.
 168: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1]
@@ -29694,11 +28695,25 @@
 168: 17: NOREF. Reference data NOT LISTED in test case.
 168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
 168: 18: NOREF. Reference data NOT LISTED in test case.
+156: .
+156: ----------------------------------------------------------------------
+156: Ran 1 test in 0.062s
+156: 
+156: OK
+156: Testing Shape Helpers wrapper
+161: file rxn_test2_2_4.png gave hash 1813989566U not the expected 1230108677U
+127/235 Test #158: pyMolCatalog ...........................   Passed    0.43 sec
+test 169
+        Start 169: pyMMPA
+
+169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
+169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap
+169: Test timeout computed to be: 1500
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 168:  -----------------------------------
-168: Time elapsed 0.009959 seconds
+168: Time elapsed 0.002619 seconds
 168: 
 168: TEST 1 mol: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
 168:    1: NULL, C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
@@ -29709,12 +28724,15 @@
 168:  3: PASSED. matchedRefRes = 6
 168:    4: O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].OC[*:2]
 168:  4: PASSED. matchedRefRes = 13
+147: [20:55:09] UFFTYPER: Unrecognized charge state for atom: 6
 168:    5: O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O, C[*:1].O[*:2]
 168:  5: PASSED. matchedRefRes = 12
 168:    6: NULL, Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
 168:  6: PASSED. matchedRefRes = 10
 168:    7: O=C(N[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
+161:  Done
+161:  ----------------- Test 3: test reactant highlighting
 168:    8: O=C(NC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168:  8: NOREF. Reference data NOT LISTED in test case.O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168:    9: O=C(NCC[*:1])[*:2], Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].O[*:1]
@@ -29727,12 +28745,37 @@
 168: 12: PASSED. matchedRefRes = 8
 168:    13: NULL, Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 13: PASSED. matchedRefRes = 9
-162: ...[12:07:09] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
-162: [12:07:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 168:    14: C([*:1])[*:2], Cc1c(C(=O)NC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
 168: 14: PASSED. matchedRefRes = 11
 168:    15: NULL, Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168: 15: PASSED. matchedRefRes = 2
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+69: Test
+69: 
+69:  RP-6306_3d.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop4.mrv
+69: 
+69: Test
+69: 
+69:  Sotorasib_atrop5.mrv
+69: 
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+69: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
@@ -29742,19 +28785,31 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: ZINC21984717 Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-] ZINC21984717
-168: Time elapsed 0.023210 seconds
+168: Time elapsed 0.004847 seconds
 168:  1: res= NULL,C[*:1].O=C(NCCO)c1c([*:1])n([O-])c2ccccc2[n+]1=O
 168:  1: PASSED. matchedRefRes = 4
 168:  2: res= O=[n+]1c([*:2])c([*:1])n([O-])c2ccccc21,C[*:1].O=C(NCCO)[*:2]
 168:  2: PASSED. matchedRefRes = 1
+130: [20:55:09]   done
+130: [20:55:09] -------------------------------------
+130: [20:55:09]     Test GitHub Issue #6958
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+130: [20:55:09] DEPRECATION WARNING: please use AtomPairGenerator
 168:  3: res= O=C(N[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OCC[*:2]
 168:  3: PASSED. matchedRefRes = 6
 168:  4: res= O=C(NC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].OC[*:2]
 168:  4: PASSED. matchedRefRes = 13
 168:  5: res= O=C(NCC[*:2])c1c([*:1])n([O-])c2ccccc2[n+]1=O,C[*:1].O[*:2]
 168:  5: PASSED. matchedRefRes = 12
+128/235 Test #130: testFingerprintGenerators ..............   Passed    1.01 sec
 168:  6: res= NULL,Cc1c([*:1])[n+](=O)c2ccccc2n1[O-].O=C(NCCO)[*:1]
 168:  6: PASSED. matchedRefRes = 10
+test 170
+        Start 170: testRascalMCES
+
+170: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
+170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
+170: Test timeout computed to be: 1500
 168:  7: res= O=C(N[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.
 168:  8: res= O=C(NC[*:1])[*:2],Cc1c([*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
@@ -29763,6 +28818,19 @@
 168:  9: NOREF. Reference data NOT LISTED in test case.
 168: 10: res= NULL,Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OCC[*:1]
 168: 10: PASSED. matchedRefRes = 3
+108: .[20:55:09] SMILES Parse Error: syntax error while parsing: mydoghasfleas
+108: [20:55:09] SMILES Parse Error: check for mistakes around position 1:
+108: [20:55:09] mydoghasfleas
+108: [20:55:09] ^
+108: [20:55:09] SMILES Parse Error: Failed parsing SMILES 'mydoghasfleas' for input: 'mydoghasfleas'
+129/235 Test #154: pyChemicalFeatures .....................   Passed    0.50 sec
+test 171
+        Start 171: testRascalCluster
+
+171: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
+171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
+171: Test timeout computed to be: 1500
+159: generating reference drawings
 168: 11: res= C([*:1])[*:2],Cc1c(C(=O)N[*:2])[n+](=O)c2ccccc2n1[O-].OC[*:1]
 168: 11: NOREF. Reference data NOT LISTED in test case.
 168: 12: res= C(C[*:2])[*:1],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].O[*:2]
@@ -29773,6 +28841,12 @@
 168: 14: PASSED. matchedRefRes = 11
 168: 15: res= NULL,Cc1c(C(=O)NCC[*:1])[n+](=O)c2ccccc2n1[O-].O[*:1]
 168: 15: PASSED. matchedRefRes = 2
+69: Test
+69: 
+69:  Sotorasib_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 7 20
+161: file rxn_test3_1.png gave hash 887759826U not the expected 4189980366U
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  5: Cc1c(C(=O)NCCO)[n+](=O)c2ccccc2n1[O-],ZINC21984717,C([*:1])[*:2],Cc1c(C(=O)N[*:1])[n+](=O)c2ccccc2n1[O-].OC[*:2]
@@ -29782,7 +28856,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1-SIMPLE CC(N1CC1)C(=O) Case1-SIMPLE
-168: Time elapsed 0.001478 seconds
+168: Time elapsed 0.001346 seconds
 168:  1: res= NULL,C[*:1].O=CC(N1CC1)[*:1]
 168:  1: PASSED. matchedRefRes = 2
 168:  2: res= O=CC([*:1])[*:2],C1CN1[*:2].C[*:1]
@@ -29797,6 +28871,22 @@
 168:  6: NOREF. Reference data NOT LISTED in test case.
 168:  7: res= NULL,CC(N1CC1)[*:1].O=C[*:1]
 168:  7: PASSED. matchedRefRes = 7
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+130/235 Test #156: pyShapeHelpers .........................   Passed    0.50 sec
+161:  Done
+161:  ----------------- Test 4: some examples from SMARTS in testing
+test 172
+        Start 172: pyRascalMCES
+
+172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
+172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
+172: Test timeout computed to be: 1500
+161: draw!
+69: Test
+69: 
+69:  Sotorasib_atropBad2.mrv
+69: 
+69: [20:55:09] The bonds on one end of an atropisomer are both UP or both DOWN - atoms are: 7 20
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: CC(N1CC1)C(=O),Case1-SIMPLE,C([*:1])([*:2])[*:3],C1CN1[*:2].C[*:1].O=C[*:3]
@@ -29804,7 +28894,7 @@
 168:  -----------------------------------
 168: 
 168: TEST mol: Case1 Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1 Case1
-168: Time elapsed 0.022641 seconds
+168: Time elapsed 0.008140 seconds
 168:  1: res= NULL,C[*:1].C[C:2](C(=O)Nc1ccccc1[*:1])[NH+]1CCCC1
 168:  1: NOREF. Reference data NOT LISTED in test case.
 168:  2: res= c1ccc([*:2])c([*:1])c1,C[*:1].C[C:3](C(=O)N[*:2])[NH+]1CCCC1
@@ -29819,13 +28909,13 @@
 168:  6: NOREF. Reference data NOT LISTED in test case.
 168:  7: res= NULL,C[C:2](C(=O)N[*:1])[NH+]1CCCC1.Cc1ccccc1[*:1]
 168:  7: NOREF. Reference data NOT LISTED in test case.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
 168:  8: res= O=C(N[*:3])[*:1],C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1[*:3]
 168:  8: NOREF. Reference data NOT LISTED in test case.
 168:  9: res= O=C(N[*:2])[C:0]([NH+]1CCCC1)[*:1],C[*:1].Cc1ccccc1[*:2]
 168:  9: NOREF. Reference data NOT LISTED in test case.
 168: 10: res= O=C(N[*:3])[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1].Cc1ccccc1[*:3]
 168: 10: NOREF. Reference data NOT LISTED in test case.
-148: [12:07:09] Molecule does not have explicit Hs. Consider calling AddHs()
 168: 11: res= C[C:0](C(=O)N[*:2])[*:1],C1CC[NH+]([*:1])C1.Cc1ccccc1[*:2]
 168: 11: NOREF. Reference data NOT LISTED in test case.
 168: 12: res= NULL,C[C:2]([NH+]1CCCC1)[*:1].Cc1ccccc1NC(=O)[*:1]
@@ -29834,34 +28924,217 @@
 168: 13: NOREF. Reference data NOT LISTED in test case.
 168: 14: res= [C:0]([*:1])([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:1].Cc1ccccc1NC(=O)[*:2]
 168: 14: NOREF. Reference data NOT LISTED in test case.
+141: processing
+141:  launch :0
+141:  launch :1
+141: [20:55:09]  launch :2
+141:  launch :3
+141: [20:55:09] Rep: 0 Mol:2
 168: 15: res= C[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.Cc1ccccc1NC(=O)[*:1]
 168: 15: NOREF. Reference data NOT LISTED in test case.
+141: [20:55:09] Rep: 0 Mol:3
 168: 16: res= NULL,C[*:1].Cc1ccccc1NC(=O)[C:2]([NH+]1CCCC1)[*:1]
 168: 16: NOREF. Reference data NOT LISTED in test case.
 168: 17: res= Cc1ccccc1NC(=O)[C:0]([*:1])[*:2],C1CC[NH+]([*:2])C1.C[*:1]
 168: 17: NOREF. Reference data NOT LISTED in test case.
 168: 18: res= NULL,C1CC[NH+]([*:1])C1.Cc1ccccc1NC(=O)[C:2](C)[*:1]
 168: 18: NOREF. Reference data NOT LISTED in test case.
+141: [20:55:09] Rep: 0 Mol:1
+141: Rep: 0 Mol:0
+141: [20:55:09] Rep: 0 Mol:5
 168: 
 168:  --- UNMATCHED Reference RESULTS: --- 
 168:  1: Cc1ccccc1NC(=O)[C:7](C)[NH+]1CCCC1,Case1,[*:1][C:7]([*:2])[*:3],C1CC[NH+]([*:3])C1.C[*:2].Cc1ccccc1NC(=O)[*:1]
 168:  -----------------------------------
 168: 
 168: TEST mol: Case2 O=C(OCc1ccccc1)C(O)c1ccccc1 Case2
-168: Time elapsed 0.023692 seconds
+168: Time elapsed 0.005806 seconds
 168:  1: res= NULL,O=C(O[*:1])C(O)c1ccccc1.c1ccc(C[*:1])cc1
 168:  1: NOREF. Reference data NOT LISTED in test case.
-162: ..........[12:07:09] 
-162: 
-162: ****
 168:  2: res= C([*:1])[*:2],O=C(O[*:1])C(O)c1ccccc1.c1ccc([*:2])cc1
 168:  2: NOREF. Reference data NOT LISTED in test case.
 168:  3: res= O=C(O[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc(C[*:2])cc1
 168:  3: NOREF. Reference data NOT LISTED in test case.
 168:  4: res= O=C(O[*:1])C(c1ccccc1)[*:2],O[*:2].c1ccc(C[*:1])cc1
 168:  4: NOREF. Reference data NOT LISTED in test case.
+141: [20:55:09] Rep: 0 Mol:9
 168:  5: res= O=C(O[*:1])C([*:2])[*:3],O[*:2].c1ccc(C[*:1])cc1.c1ccc([*:3])cc1
 168:  5: NOREF. Reference data NOT LISTED in test case.
+168:  6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1
+168:  6: NOREF. Reference data NOT LISTED in test case.
+168:  7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1
+168:  7: NOREF. Reference data NOT LISTED in test case.
+161: file rxn_test4_1.png gave hash 2871076982U not the expected 2745201873U
+168:  8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1
+168:  8: NOREF. Reference data NOT LISTED in test case.
+168:  9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1
+168:  9: NOREF. Reference data NOT LISTED in test case.
+168: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1
+168: 10: NOREF. Reference data NOT LISTED in test case.
+141: [20:55:09] Rep: 0 Mol:13
+168: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1
+168: 11: NOREF. Reference data NOT LISTED in test case.
+141: [20:55:09] Rep: 0 Mol:4
+168: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1]
+168: 12: NOREF. Reference data NOT LISTED in test case.
+168: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2]
+168: 13: NOREF. Reference data NOT LISTED in test case.
+168: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1
+168: 14: PASSED. matchedRefRes = 1
+168: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1
+168: 15: NOREF. Reference data NOT LISTED in test case.
+168: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1]
+168: 16: NOREF. Reference data NOT LISTED in test case.
+168: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1
+168: 17: NOREF. Reference data NOT LISTED in test case.
+168: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1
+168: 18: NOREF. Reference data NOT LISTED in test case.
+161:  done
+168: 
+168:  --- ALL PASSED --- 
+168:  -----------------------------------
+168: 5 TEST CASES FAILED 
+131/235 Test #168: testMMPA ...............................   Passed    0.16 sec
+test 173
+        Start 173: testSynthonSpaceSubstructureSearch
+
+173: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
+173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
+173: Test timeout computed to be: 1500
+126: Warning: Atom Count for residue GLU53A does not match expected count
+141: [20:55:09] Rep: 0 Mol:17
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:55:09] Rep: 0 Mol:6
+69: Test
+69: 
+69:  Sotorasib_3d.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  ZM374979_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 0 31
+141: [20:55:09] Rep: 0 Mol:10
+162: ...[20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolDraw2D/Amadeus.ttf not found.
+162: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+141: [20:55:09] Rep: 0 Mol:8
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:55:09] Rep: 0 Mol:12
+141: [20:55:09] Rep: 0 Mol:7
+141: [20:55:09] Rep: 0 Mol:11
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+141: [20:55:09] Rep: 0 Mol:21
+141: [20:55:09] Rep: 0 Mol:16
+141: [20:55:09] Rep: 0 Mol:15
+161: file rxn_test4_2.png gave hash 424710428U not the expected 3094925886U
+141: [20:55:09] Rep: 0 Mol:19
+141: [20:55:09] Rep: 0 Mol:25
+160: file testHandDrawn-1.svg gave hash 2072486955U not the expected 2253418236U
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+167: ....
+141: [20:55:09] Rep: 0 Mol:23
+167: ----------------------------------------------------------------------
+167: Ran 4 tests in 0.016s
+167: 
+167: OK
+141: [20:55:09] Rep: 0 Mol:27
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+161:  Done
+141: [20:55:09] Rep: 0 Mol:31
+132/235 Test #161: moldraw2DRxnTest1 ......................   Passed    0.53 sec
+test 174
+        Start 174: testCIPLabeler
+
+174: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
+174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler
+174: Test timeout computed to be: 1500
+141: [20:55:09] Rep: 0 Mol:20
+69: Test
+69: 
+69:  mrtx1719_3d.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop1.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop2.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atrop3.mrv
+69: 
+69: Test
+69: 
+69:  mrtx1719_atropBad1.mrv
+69: 
+69: [20:55:09] The 2 defining bonds for an atropisomer are co-planar - atoms are: 15 16
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+108: .......
+108: ----------------------------------------------------------------------
+108: Ran 21 tests in 1.179s
+108: 
+108: OK
+108: (Five aromatic carbons And (Not any of Five aromatic carbons))
+108: (Five aromatic carbons Or (Not any of Five aromatic carbons))
+108: (Not (Five aromatic carbons And (Not any of Five aromatic carbons)))
+108: ********************************************
+108: Testing: PAINS_A 2
+108: ********************************************
+108: Testing: PAINS_B 4
+108: ********************************************
+108: Testing: PAINS_C 8
+108: ********************************************
+108: Testing: PAINS 14
+108: (Not FilterMatcher)
+108: Bar
+108: Count 1
+108: ********************************************
+108: {'Cl,Br,I'}
+108: 1
+108: 2
+108: running
+141: [20:55:09] Rep: 0 Mol:29
+141: [20:55:09] Rep: 0 Mol:24
+70: [20:55:09] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [20:55:09] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+141: [20:55:09] Rep: 0 Mol:28
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+133/235 Test #167: pyMolHash ..............................   Passed    0.37 sec
+test 175
+        Start 175: pyCIPLabelsWrapTest
+
+175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
+175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
+175: Test timeout computed to be: 1500
+160: file testHandDrawn-1.png gave hash 2810773836U not the expected 3894611804U
+141: [20:55:09] Rep: 0 Mol:14
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+162: ..........[20:55:09] 
+162: 
+162: ****
+174: Randomness seeded to: 3293455834
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
+174: [20:55:09] non kekulizable aromatic bond being treated as bond order 1
 162: Pre-condition Violation
 162: molecule must not be None
 162: Violation occurred on line 432 in file ./Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp
@@ -29873,7 +29146,7 @@
 162:  2# RDKit::prepMolForDrawing(RDKit::ROMol const*, bool, bool, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
 162:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol* (*)(RDKit::ROMol const*, bool, bool, bool, bool, bool), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector7<RDKit::ROMol*, RDKit::ROMol const*, bool, bool, bool, bool, bool> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/Draw/rdMolDraw2D.so
 162:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162:  5# 0x00007F35DF7DA66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162:  5# 0x00007FC3373DF66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 162:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 162:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 162:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
@@ -29884,17 +29157,17 @@
 162: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 162: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 162: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 16# 0x00007F35DE3B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 17# 0x00007F35DE3B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 18# 0x00007F35DE3B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 19# 0x00007F35DE3B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-162: 20# 0x00007F35DE3B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 16# 0x00007FC335FB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 17# 0x00007FC335FB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 18# 0x00007FC335FB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 19# 0x00007FC335FB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+162: 20# 0x00007FC335FB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 162: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 162: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 162: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 162: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 162: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-162: 26# 0x00007F35DF7D7406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+162: 26# 0x00007FC3373DC406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 162: 27# _PyObject_MakeTpCall in /usr/bin/python3
 162: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 162: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -29926,160 +29199,2468 @@
 162: 55# 0x000000000067EB1E in /usr/bin/python3
 162: 56# Py_RunMain in /usr/bin/python3
 162: 57# Py_BytesMain in /usr/bin/python3
-162: 58# 0x00007F35E0FA8CA8 in /lib/x86_64-linux-gnu/libc.so.6
+162: 58# 0x00007FC338B77CA8 in /lib/x86_64-linux-gnu/libc.so.6
 162: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 162: 60# _start in /usr/bin/python3
 162: ----------
 162: ****
 162: 
-168:  6: res= O=C(O[*:1])C(O)[*:2],c1ccc(C[*:1])cc1.c1ccc([*:2])cc1
-168:  6: NOREF. Reference data NOT LISTED in test case.
-168:  7: res= NULL,O=C(OC[*:1])C(O)c1ccccc1.c1ccc([*:1])cc1
-168:  7: NOREF. Reference data NOT LISTED in test case.
-168:  8: res= O=C(OC[*:2])[*:1],OC(c1ccccc1)[*:1].c1ccc([*:2])cc1
-168:  8: NOREF. Reference data NOT LISTED in test case.
-168:  9: res= O=C(OC[*:2])C(c1ccccc1)[*:1],O[*:1].c1ccc([*:2])cc1
-168:  9: NOREF. Reference data NOT LISTED in test case.
-168: 10: res= O=C(OC[*:2])C([*:1])[*:3],O[*:1].c1ccc([*:2])cc1.c1ccc([*:3])cc1
-168: 10: NOREF. Reference data NOT LISTED in test case.
-168: 11: res= O=C(OC[*:1])C(O)[*:2],c1ccc([*:1])cc1.c1ccc([*:2])cc1
-168: 11: NOREF. Reference data NOT LISTED in test case.
-168: 12: res= NULL,O=C(OCc1ccccc1)[*:1].OC(c1ccccc1)[*:1]
-168: 12: NOREF. Reference data NOT LISTED in test case.
-168: 13: res= c1ccc(C([*:1])[*:2])cc1,O=C(OCc1ccccc1)[*:1].O[*:2]
-168: 13: NOREF. Reference data NOT LISTED in test case.
-168: 14: res= C([*:1])([*:2])[*:3],O=C(OCc1ccccc1)[*:1].O[*:2].c1ccc([*:3])cc1
-168: 14: PASSED. matchedRefRes = 1
-168: 15: res= OC([*:1])[*:2],O=C(OCc1ccccc1)[*:1].c1ccc([*:2])cc1
-168: 15: NOREF. Reference data NOT LISTED in test case.
-168: 16: res= NULL,O=C(OCc1ccccc1)C(c1ccccc1)[*:1].O[*:1]
-168: 16: NOREF. Reference data NOT LISTED in test case.
-168: 17: res= O=C(OCc1ccccc1)C([*:1])[*:2],O[*:1].c1ccc([*:2])cc1
-168: 17: NOREF. Reference data NOT LISTED in test case.
-168: 18: res= NULL,O=C(OCc1ccccc1)C(O)[*:1].c1ccc([*:1])cc1
-168: 18: NOREF. Reference data NOT LISTED in test case.
-168: 
-168:  --- ALL PASSED --- 
-168:  -----------------------------------
-168: 5 TEST CASES FAILED 
-149/235 Test #168: testMMPA ...............................   Passed    0.55 sec
-test 169
-        Start 169: pyMMPA
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:55:09] Rep: 0 Mol:18
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+126: Warning: Atom Count for residue ARG64A does not match expected count
+159: processing
+159:  launch :0
+159:  launch :1
+159:  launch :2
+159:  launch :3
+134/235 Test #108: pyFilterCatalog ........................   Passed    1.56 sec
+test 176
+        Start 176: pyCIPLabelsValidation
 
-169: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MMPA/Wrap/testMMPA.py"
-169: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MMPA/Wrap
-169: Test timeout computed to be: 1500
-148: [12:07:10] Molecule does not have explicit Hs. Consider calling AddHs()
-146: validating reference data
-167: ....
-167: ----------------------------------------------------------------------
-167: Ran 4 tests in 0.032s
-167: 
-167: OK
-150/235 Test #167: pyMolHash ..............................   Passed    0.90 sec
-test 170
-        Start 170: testRascalMCES
+176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
+176: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
+176: Test timeout computed to be: 1500
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:55:09] Rep: 0 Mol:22
+70: [20:55:09] Empty atom list: 'M  ALS   1  0 F' on line 8.
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+70: de_DE.UTF-8
+70: [20:55:09] -------------------------------------
+70: [20:55:09]     Test multithreading Locale Switching
+141: [20:55:09] Rep: 0 Mol:26
+160: file testHandDrawn-2.svg gave hash 1534109833U not the expected 794717511U
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+69: Test
+69: 
+69:  AlexRxn.mrv
+69: 
+69: Test
+69: 
+69:  BadReactionSign.mrv
+69: 
+69: Test
+69: 
+69:  bondArray_node.mrv
+69: 
+69: Test
+69: 
+69:  marvin03.mrv
+69: 
+69: Test
+69: 
+69:  marvin04.mrv
+69: 
+69: Test
+69: 
+69:  marvin08.mrv
+69: 
+69: Test
+69: 
+69:  marvin09.mrv
+69: 
+69: Test
+69: 
+69:  marvin11.mrv
+69: 
+69: Test
+69: 
+69:  marvin05.mrv
+69: 
+69: Test
+69: 
+69:  EmptyRxn.mrv
+69: 
+69: [20:55:09] initialization failed
+89: [20:55:09] Explicit valence for atom # 9 N, 6, is greater than permitted
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+141: [20:55:09] Rep: 0 Mol:30
+160: file testHandDrawn-2.png gave hash 3255836690U not the expected 1443443188U
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-3.svg gave hash 2359787964U not the expected 3982694296U
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+148: [20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-3.png gave hash 1999104941U not the expected 865629432U
+148: .[20:55:09] Molecule does not have explicit Hs. Consider calling AddHs()
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+160: file testHandDrawn-4.svg gave hash 1880974760U not the expected 2146113517U
+160: [20:55:09] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:09] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+70: [20:55:09]     Test multithreading (Done)
+70: [20:55:09] -------------------------------------
+69: Test
+69: 
+69:  RxnNoCoords.mrv
+69: 
+69: Test
+69: 
+69:  mrvValenceZero.mrv
+69: 
+69: Test
+69: 
+69:  condition_coordinates_mpoint.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  aspirineSynthesisWithAttributes.mrv
+69: 
+69: Test
+69: 
+69:  marvin01.mrv
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTest
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTestNoChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  NewChiralTest2AllChiral
+69: 
+69: Test
+69: 
+69:  Vendor839
+69: 
+69: Test
+69: 
+69:  DoubleBondChain
+69: 
+69: Test
+69: 
+69:  Na_Mg_Al_OH
+69: 
+69: Test
+69: 
+69:  Pb
+69: 
+69: Test
+69: 
+69:  O_Mg_Si
+69: 
+69: Test
+69: 
+69:  SquiggleBond
+69: 
+69: Test
+69: 
+69:  BigMacrocycle
+69: 
+69: Test
+69: 
+69:  Smiles1
+69: 
+61: Test
+61: 
+61:  AtropCanon1.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon2.cxsmi
+61: 
+61: Test
+61: 
+61:  AtropCanon3.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d_chiral.cxsmi
+61: 
+61: Test
+61: 
+61:  BMS-986142_3d.cxsmi
+61: 
+61: ===============================================================================
+61: All tests passed (2445 assertions in 29 test cases)
+61: 
+135/235 Test  #61: cxsmilesTest ...........................   Passed    2.11 sec
+test 177
+        Start 177: deprotectTest
 
-170: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalMCES
-170: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
-170: Test timeout computed to be: 1500
+177: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
+177: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect
+177: Test timeout computed to be: 1500
+70: ***************************************
+70: ***************************************
+174: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+174: [20:55:09] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
+136/235 Test  #69: testMrvToMol ...........................   Passed    2.05 sec
+test 178
+        Start 178: pyDeprotect
+
+178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rough_test.py"
+178: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap
+178: Test timeout computed to be: 1500
+160: file testHandDrawn-4.png gave hash 1317783250U not the expected 3919767093U
+70: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+70: [20:55:09] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+70: [20:55:09] bond with order 0 found on line 7. This is not part of the MDL specification.
+141: [20:55:09] Rep: 20 Mol:3
+141: [20:55:09] Rep: 20 Mol:7
+141: [20:55:09] Rep: 20 Mol:11
+141: [20:55:09] Rep: 20 Mol:15
+141: [20:55:09] Rep: 20 Mol:19
+141: [20:55:09] Rep: 20 Mol:23
+141: [20:55:10] Rep: 20 Mol:27
+141: [20:55:10] Rep: 20 Mol:31
+143: [20:55:10] Rep: 100 Mol:3
+143: [20:55:10] Rep: 100 Mol:7
+143: [20:55:10] Rep: 100 Mol:11
+143: [20:55:10] Rep: 100 Mol:15
+143: [20:55:10] Rep: 100 Mol:19
+143: [20:55:10] Rep: 100 Mol:23
+143: [20:55:10] Rep: 100 Mol:27
+143: [20:55:10] Rep: 100 Mol:31
+174: ===============================================================================
+174: All tests passed (6577 assertions in 19 test cases)
+174: 
+70: [20:55:10] Skipping unrecognized collection type at line 26: MDLV30/HILITE BONDS=(1 7)
+70: [20:55:10] Skipping unrecognized collection type at line 27: MDLV30/HILITE ATOMS=(1 7)
+70: [20:55:10] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+137/235 Test #174: testCIPLabeler .........................   Passed    0.29 sec
+test 179
+        Start 179: testReducedGraphs
+
+179: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs
+179: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs
+179: Test timeout computed to be: 1500
+70: generating smiles
+70: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2
+70: converting back
+126: Warning: Atom Count for residue LYS80A does not match expected count
+117: =>start test morse custom
+117: [20:55:10] test on : 365 molecules done
+70: check isomorphism
+141: [20:55:10] Rep: 20 Mol:0
+141: [20:55:10] Rep: 20 Mol:4
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     1.3,     1.3,     0.6,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+141: [20:55:10] Rep: 20 Mol:8
+141: [20:55:10] Rep: 20 Mol:12
+141: [20:55:10] Rep: 20 Mol:16
+141: [20:55:10] Rep: 20 Mol:20
+89: [20:55:10] Explicit valence for atom # 3 Al, 6, is greater than permitted
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     1.3,     1.3,     0.6,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+141: [20:55:10] Rep: 20 Mol:24
+141: [20:55:10] Rep: 20 Mol:28
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
+179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
+179: 
 162: ......................
 162: ----------------------------------------------------------------------
-162: Ran 35 tests in 1.238s
+162: Ran 35 tests in 0.465s
 162: 
 162: OK
 162: json lasso
-148: [12:07:10] Molecule does not have explicit Hs. Consider calling AddHs()
+138/235 Test #179: testReducedGraphs ......................   Passed    0.08 sec
+test 180
+        Start 180: pyReducedGraphs
+
+180: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
+180: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
+180: Test timeout computed to be: 1500
+141: [20:55:10] Rep: 20 Mol:1
+141: [20:55:10] Rep: 20 Mol:5
+141: [20:55:10] Rep: 20 Mol:9
+141: [20:55:10] Rep: 20 Mol:13
+143: [20:55:10] Rep: 100 Mol:1
+143: [20:55:10] Rep: 100 Mol:5
+143: [20:55:10] Rep: 100 Mol:9
+143: [20:55:10] Rep: 100 Mol:13
+143: [20:55:10] Rep: 100 Mol:17
+143: [20:55:10] Rep: 100 Mol:21
+143: [20:55:10] Rep: 100 Mol:25
+143: [20:55:10] Rep: 100 Mol:29
+141: [20:55:10] Rep: 20 Mol:17
+141: [20:55:10] Rep: 20 Mol:21
+141: [20:55:10] Rep: 20 Mol:25
+141: [20:55:10] Rep: 20 Mol:29
+139/235 Test #162: pyMolDraw2D ............................   Passed    0.94 sec
+test 181
+        Start 181: trajectoryTest
+
+181: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
+181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory
+181: Test timeout computed to be: 1500
+89: [20:55:10] Explicit valence for atom # 4 Al, 6, is greater than permitted
+177: Randomness seeded to: 1159800346
+177: ===============================================================================
+177: All tests passed (111 assertions in 3 test cases)
+177: 
+140/235 Test #177: deprotectTest ..........................   Passed    0.24 sec
+test 182
+        Start 182: substructLibraryTest
+
+182: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
+182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
+182: Test timeout computed to be: 1500
+89: [20:55:10] Explicit valence for atom # 10 Si, 6, is greater than permitted
+98: .
+98: ----------------------------------------------------------------------
+98: Ran 11 tests in 1.803s
+98: 
+98: OK
+98: True
+98: == CartesianProductStrategy CartesianProductStrategy
+98: 197 out of 300
+98: 0 6 out of 10
+98: 1 3 out of 5
+98: 2 4 out of 6
+98: 198 out of 300
+98: 0 10 out of 10
+98: 1 5 out of 5
+98: 2 6 out of 6
+98: <rdkit.Chem.rdChemReactions.CartesianProductStrategy object at 0x7f6eb26fdad0> Skipped 10000000 in 0.06694340705871582 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleStrategy object at 0x7f6eb26fda30> Skipped 10000000 in 0.7971696853637695 seconds
+98: <rdkit.Chem.rdChemReactions.RandomSampleAllBBsStrategy object at 0x7f6eb26fdd00> Skipped 10000000 in 0.6695818901062012 seconds
+141: [20:55:10] Rep: 40 Mol:3
+141: [20:55:10] Rep: 40 Mol:7
+141: [20:55:10] Rep: 40 Mol:11
+148: [20:55:10] Molecule does not have explicit Hs. Consider calling AddHs()
+29: All 191 tests passed
+141: [20:55:10] Rep: 40 Mol:15
+141: [20:55:10] Rep: 40 Mol:19
+182: [20:55:10] -------------------------------------
+182: [20:55:10]     Test1
+141: [20:55:10] Rep: 40 Mol:23
+141: [20:55:10] Rep: 40 Mol:27
+141: [20:55:10] Rep: 40 Mol:31
+143: [20:55:10] Rep: 100 Mol:0
+143: [20:55:10] Rep: 100 Mol:4
+143: [20:55:10] Rep: 100 Mol:8
+143: [20:55:10] Rep: 100 Mol:12
+143: [20:55:10] Rep: 100 Mol:16
+143: [20:55:10] Rep: 100 Mol:20
+143: [20:55:10] Rep: 100 Mol:24
+143: [20:55:10] Rep: 100 Mol:28
+175: ....
+175: ----------------------------------------------------------------------
+175: Ran 4 tests in 0.037s
+175: 
+175: OK
+141/235 Test  #98: pyChemReactionEnumerations .............   Passed    2.25 sec
+test 183
+        Start 183: substructLibraryCatchTest
+
+183: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
+183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
+183: Test timeout computed to be: 1500
+141: [20:55:10] Rep: 20 Mol:2
+141: [20:55:10] Rep: 20 Mol:6
+141: [20:55:10] Rep: 20 Mol:10
+141: [20:55:10] Rep: 20 Mol:14
+141: [20:55:10] Rep: 20 Mol:18
+141: [20:55:10] Rep: 20 Mol:22
+141: [20:55:10] Rep: 20 Mol:26
+141: [20:55:10] Rep: 20 Mol:30
+172: ..........[20:55:10] Too many matching bond pairs (1032) so can't continue.
+141: [20:55:10] Rep: 40 Mol:0
+141: [20:55:10] Rep: 40 Mol:4
+141: [20:55:10] Rep: 40 Mol:8
+141: [20:55:10] Rep: 40 Mol:12
+141: [20:55:10] Rep: 40 Mol:16
+141: [20:55:10] Rep: 40 Mol:20
+141: [20:55:10] Rep: 40 Mol:24
+141: [20:55:10] Rep: 40 Mol:28
+142/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    0.66 sec
+test 184
+        Start 184: pySubstructLibrary
+
+184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
+184: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
+184: Test timeout computed to be: 1500
+141: [20:55:10] Rep: 60 Mol:3
+141: [20:55:10] Rep: 60 Mol:7
+141: [20:55:10] Rep: 60 Mol:11
+143: [20:55:10] Rep: 100 Mol:2
+141: [20:55:10] Rep: 60 Mol:15
+141: [20:55:10] Rep: 60 Mol:19
+141: [20:55:10] Rep: 60 Mol:23
+141: [20:55:10] Rep: 60 Mol:27
+143: [20:55:10] Rep: 100 Mol:6
+143: [20:55:10] Rep: 100 Mol:10
+143: [20:55:10] Rep: 100 Mol:14
+141: [20:55:10] Rep: 60 Mol:31
+143: [20:55:10] Rep: 100 Mol:18
+143: [20:55:10] Rep: 100 Mol:22
+143: [20:55:10] Rep: 100 Mol:26
+143: [20:55:10] Rep: 100 Mol:30
+141: [20:55:10] Rep: 40 Mol:1
+178: .....
+178: ----------------------------------------------------------------------
+178: Ran 5 tests in 0.094s
+178: 
+178: OK
+178: Testing tert-butyldimethylsilyl
+178: Testing methoxytrityl
+178: Testing tetrahydropyranyl
+178: Testing methoxymethyl_ether
+178: Testing beta-Methoxyethoxymethyl_ether
+178: Testing benzyl
+178: Testing trimethylsilyl
+178: Testing benzoyl
+178: Testing pivaloyl
+178: Testing triisopropylsilyl
+178: Testing acetyl
+178: Testing para-methoxybenzyl_ether
+178: Testing triphenylmethyl
+178: Testing phthaloyl
+178: Testing trimethylsilylethoxymethyl
+178: Testing para-methoxyphenyl
+178: Testing tosyl
+178: Testing tert-butyloxycarbonyl
+178: Testing trifluoroacetyl
+178: Testing benzoyl
+178: Testing 9-fluorenylmethyloxycarbonyl
+178: Testing benzylamine
+178: Testing acetamide
+178: Testing carbobenzyloxy
+178: Testing Acetal/Ketal
+178: Testing tert-butyldimethylsilyl
+178: Testing methoxytrityl
+178: Testing tetrahydropyranyl
+178: Testing methoxymethyl_ether
+178: Testing beta-Methoxyethoxymethyl_ether
+178: Testing benzyl
+178: Testing trimethylsilyl
+178: Testing benzoyl
+178: Testing pivaloyl
+178: Testing triisopropylsilyl
+178: Testing acetyl
+178: Testing para-methoxybenzyl_ether
+178: Testing triphenylmethyl
+178: Testing phthaloyl
+178: Testing trimethylsilylethoxymethyl
+178: Testing para-methoxyphenyl
+178: Testing tosyl
+178: Testing tert-butyloxycarbonyl
+178: Testing trifluoroacetyl
+178: Testing benzoyl
+178: Testing 9-fluorenylmethyloxycarbonyl
+178: Testing benzylamine
+178: Testing acetamide
+178: Testing carbobenzyloxy
+178: Testing Acetal/Ketal
+141: [20:55:10] Rep: 40 Mol:5
+141: [20:55:10] Rep: 40 Mol:9
+141: [20:55:10] Rep: 40 Mol:13
+141: [20:55:10] Rep: 40 Mol:17
+141: [20:55:10] Rep: 40 Mol:21
+141: [20:55:10] Rep: 40 Mol:25
+125: Warning: Atom Count for residue GLU150A does not match expected count
+141: [20:55:10] Rep: 40 Mol:29
+143/235 Test #181: trajectoryTest .........................   Passed    0.34 sec
+test 185
+        Start 185: testRGroupDecomp
+
+185: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
+185: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
+185: Test timeout computed to be: 1500
+144/235 Test #178: pyDeprotect ............................   Passed    1.56 sec
+test 186
+        Start 186: testRGroupDecompInternals
+
+186: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
+186: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
+186: Test timeout computed to be: 1500
+89: [20:55:11] Explicit valence for atom # 2 O, 4, is greater than permitted
+89: [20:55:11] Explicit valence for atom # 3 Al, 6, is greater than permitted
+89: [20:55:11] Explicit valence for atom # 3 Be, 4, is greater than permitted
+173: Randomness seeded to: 1983046127
+173: [20:55:11] Writing the enumerated file may take quite some time and result in a large file.
+41: [20:55:11] done: 500000
+41: [20:55:11] Done
+89: [20:55:11] Explicit valence for atom # 27 P, 6, is greater than permitted
+148: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+41: [20:55:11] Testing hanoi with a functor.
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+141: [20:55:11] Rep: 40 Mol:2
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+41: [20:55:11] Done
+41: [20:55:11] Testing basic partition refinement.
+41: [20:55:11] Done
+41: [20:55:11] Testing partition refinement with neighbors.
+41: [20:55:11] Done
+41: [20:55:11] testing canonicalization via tie breaking.
+41: [20:55:11] Done
+41: [20:55:11] testing canonicalization using the wrapper.
+141: [20:55:11] Rep: 40 Mol:6
+141: [20:55:11] Rep: 40 Mol:10
+141: [20:55:11] Rep: 40 Mol:14
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+141: [20:55:11] Rep: 40 Mol:18
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+141: [20:55:11] Rep: 40 Mol:22
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+186: [20:55:11] WARNING: not removing hydrogen atom with dummy atom neighbors
+141: [20:55:11] Rep: 40 Mol:26
+141: [20:55:11] Rep: 40 Mol:30
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+145/235 Test #186: testRGroupDecompInternals ..............   Passed    0.10 sec
+test 187
+        Start 187: rgroupCatchTests
+
+187: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
+187: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
+187: Test timeout computed to be: 1500
+41: [20:55:11] Done
+41: [20:55:11] testing some specific ordering problems
+41: [20:55:11] Finished
+41: [20:55:11] testing chiral invariants.
+41: [20:55:11] Finished
+41: [20:55:11] testing unique ranks in w.r.t. renumbering.
+125: Warning: Atom Count for residue ASN157A does not match expected count
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+89: ===============================================================================
+89: All tests passed (21562 assertions in 3 test cases)
+89: 
+151: 2457041540
+146/235 Test  #89: multithreadedSupplierCatchTest .........   Passed    3.62 sec
+test 188
+        Start 188: pyRGroupDecomposition
+
+188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
+188: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
+188: Test timeout computed to be: 1500
+41: [20:55:11] Finished
+41: [20:55:11] testing mol fragments.
+41: [20:55:11] Finished
+41: [20:55:11] testing protein round-tripping.
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 6
+146: [20:55:08] 	---------------------------------
+146: [20:55:08] 	 test3 
+146: 
+146: [20:55:09] 	---------------------------------
+146: [20:55:09] 	 test4 
+146: 
+146: [20:55:09] 	---------------------------------
+146: [20:55:09] 	 test5 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test6 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test15Dists 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test Issue 215 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testMultipleConfs 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testMultipleConfsExpTors 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue227 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue236 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testOrdering 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue244 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue251 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue276 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue284 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue285 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testIssue355 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 testRandomCoords 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 1989539 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 2091864 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test constrained embedding 
+146: 
+146: [20:55:11] ssd: 0.0752641
+146: [20:55:11] ssd: 0.0659363
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf...
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+147: [20:55:11] UFFTYPER: Warning: hybridization set to SP3 for atom 11
+122: =>start test GETAWAY
+122: [20:55:11] test on : 365 molecules done
+147/235 Test #122: testGETAWAY ............................   Passed    3.41 sec
+test 189
+        Start 189: molInterchangeTest1
+
+189: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
+189: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
+189: Test timeout computed to be: 1500
+141: [20:55:11] Rep: 60 Mol:2
+183: Randomness seeded to: 2680419168
+183: ===============================================================================
+183: All tests passed (171 assertions in 5 test cases)
+183: 
+141: [20:55:11] Rep: 60 Mol:6
+141: [20:55:11] Rep: 60 Mol:10
+148/235 Test #183: substructLibraryCatchTest ..............   Passed    1.51 sec
+141: [20:55:11] Rep: 60 Mol:14
+test 190
+        Start 190: molInterchangeCatchTest
+
+190: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
+190: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
+190: Test timeout computed to be: 1500
+141: [20:55:11] Rep: 60 Mol:18
+141: [20:55:11] Rep: 60 Mol:22
+141: [20:55:11] Rep: 60 Mol:26
+141: [20:55:11] Rep: 60 Mol:30
+189: [20:55:11] test1: basics
+180: .....
+180: ----------------------------------------------------------------------
+180: Ran 5 tests in 0.017s
+180: 
+180: OK
+189: [20:55:11] done
+189: [20:55:11] test2: basic writing
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]}
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]}
+189: [20:55:11] done
+189: [20:55:11] test3: writing conformers
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988,-0.0452],[-0.3332,0.4556],[0.166,1.322],[0.5332,-0.0438],[-2.0652,0.4542],[-0.834,1.3212]]},{"dim":3,"coords":[[0.9554,-0.3743,-0.4679],[-0.3616,-0.1311,-0.0795],[-0.5097,1.6256,0.1706],[-0.5779,-0.792,1.1042],[1.5277,0.1064,0.1628],[-1.0339,-0.4346,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
+189: [20:55:11] done
+189: [20:55:11] test4: writing properties
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
+189: [20:55:11] done
+189: [20:55:11] test5: writing partial charges
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[0.5,-0.5]}]}]}
+189: [20:55:11] testing parse options
+189: [20:55:11] done
+189: [20:55:11] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
+189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
+189: [20:55:11] done
+189: [20:55:11] testing 'either' stereochemistry
+189: [20:55:11] done
+149/235 Test #189: molInterchangeTest1 ....................   Passed    0.06 sec
+test 191
+        Start 191: pyMolInterchange
+
+191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
+191: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
+191: Test timeout computed to be: 1500
+190: Randomness seeded to: 2111497313
+190: [20:55:11]  unrecognized bond type 12 set to zero while writing
+190: [20:55:11]  unrecognized bond type 0 set to zero while writing
+150/235 Test #180: pyReducedGraphs ........................   Passed    1.83 sec
+test 192
+        Start 192: testSLNParse
+
+192: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
+192: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse
+192: Test timeout computed to be: 1500
+182: [20:55:11]   done
+190: ===============================================================================
+190: All tests passed (125 assertions in 7 test cases)
+190: 
+151/235 Test #190: molInterchangeCatchTest ................   Passed    0.09 sec
+test 193
+        Start 193: pySLNParse
+
+193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/testSLN.py"
+193: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap
+193: Test timeout computed to be: 1500
+182: [20:55:11] -------------------------------------
+182: [20:55:11]     Test2
+148: [20:55:11] Molecule does not have explicit Hs. Consider calling AddHs()
+70: [20:55:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:11] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 1 ignored
+70: [20:55:11]  deprecated group abbreviation ignored on line 24
+141: [20:55:11] Rep: 80 Mol:3
+141: [20:55:11] Rep: 80 Mol:7
+141: [20:55:11] Rep: 80 Mol:11
+141: [20:55:11] Rep: 80 Mol:15
+141: [20:55:11] Rep: 80 Mol:19
+141: [20:55:11] Rep: 80 Mol:23
+70: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*]
+70: [20:55:11] 
+70: 
+70: ****
+70: Post-condition Violation
+70: Element 'Mv' not found
+70: Violation occurred on line 93 in file ./Code/GraphMol/PeriodicTable.h
+70: Failed Expression: anum > -1
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::PeriodicTable::getAtomicNumber(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  3# 0x00007F37B5CC8511 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  4# 0x00007F37B5CD1DEA in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  5# 0x00007F37B5CD216D in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  6# RDKit::FileParserUtils::ParseV2000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  7# RDKit::v2::FileParsers::MolFromMolDataStream(std::istream&, unsigned int&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  8# RDKit::v2::FileParsers::MolFromMolFile(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::v2::FileParsers::MolFileParserParams const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitFileParsers.so.1
+70:  9# 0x00005577C8635CB5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 10# 0x00005577C869C492 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 11# 0x00005577C861CA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: 12# 0x00007F37B5233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70: 13# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70: 14# 0x00005577C861CB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+141: [20:55:11] Rep: 80 Mol:27
+141: [20:55:11] Rep: 80 Mol:31
+141: [20:55:11] Rep: 60 Mol:1
+141: [20:55:11] Rep: 60 Mol:5
+141: [20:55:11] Rep: 60 Mol:9
+141: [20:55:11] Rep: 60 Mol:13
+141: [20:55:11] Rep: 60 Mol:17
+141: [20:55:11] Rep: 60 Mol:0
+192: Atoms:
+192: 	0 6 C chg: 1  deg: 5 exp: N/A imp: 0 hyb: 
+192: 	1 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+192: 	2 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+192: 	3 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+192: 	4 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+192: 	5 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
+192: Bonds:
+192: 	0 0->1 order: 1
+192: 	1 0->2 order: 1
+192: 	2 0->3 order: 1
+192: 	3 0->4 order: 1
+192: 	4 0->5 order: 1
+192: [20:55:11] SLN Parse Error: syntax error while parsing: CH4[I=13]
+192: [20:55:11] Failed parsing SLN 'CH4[I=13]'
+141: [20:55:11] Rep: 60 Mol:4
+141: [20:55:11] Rep: 60 Mol:21
+141: [20:55:11] Rep: 60 Mol:25
+141: [20:55:11] Rep: 60 Mol:29
+117: =>start test AUTOCORR3D custom
+192: [20:55:11] SLN Parser error: Atom ID 1 appears *after* its ring closure.
+192: [20:55:11] SLN Parser error: Ring closure 1 does not have a corresponding opener.
+192: [20:55:11] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
+192: [20:55:11] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
+192: [20:55:11] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
+192: [20:55:11] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
+192: [20:55:11] SLN Parse Error: syntax error while parsing: CH4	fff
+192: [20:55:11] Failed parsing SLN 'CH4	fff'
+192: [20:55:11] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
+192: [20:55:11] Failed parsing SLN 'C[charge=+1] 	foo'
+117: [20:55:11] test on : 365 molecules done
+141: [20:55:12] Rep: 60 Mol:8
+141: [20:55:12] Rep: 60 Mol:12
+141: [20:55:12] Rep: 60 Mol:16
+141: [20:55:12] Rep: 60 Mol:20
+185: [20:55:12] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
+141: [20:55:12] Rep: 60 Mol:24
+141: [20:55:12] Rep: 60 Mol:28
+192: [20:55:12] Query property 'is' ignored on non-query atom
+192: [20:55:12] Query property 'is' ignored on non-query atom
+152/235 Test #192: testSLNParse ...........................   Passed    0.08 sec
+test 194
+        Start 194: pyGraphMolWrap
+
+194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rough_test.py"
+194: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+194: Test timeout computed to be: 1500
+185: [20:55:12] WARNING: not removing hydrogen atom with dummy atom neighbors
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 2091974 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 2835784 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 3019283 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 3238580 
+146: 
+146: [20:55:11] 	---------------------------------
+146: [20:55:11] 	 test sf.net issue 3483968 
+146: 
+146: [20:55:12] 	---------------------------------
+146: [20:55:12] 	 test github issue 55 
+146: 
+146: [20:55:12] 	---------------------------------
+146: [20:55:12] 	 test1 
+146: 
+146: [20:55:12] 	---------------------------------
+146: [20:55:12] 	 test multi-threading 
+146: 
+146: building molecules
+146: generating reference data
+187: Randomness seeded to: 3612541135
+187: ===============================================================================
+187: All tests passed (1475 assertions in 14 test cases)
+187: 
+153/235 Test #187: rgroupCatchTests .......................   Passed    0.51 sec
+test 195
+        Start 195: pyTestConformerWrap
+
+195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testConformer.py"
+195: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+195: Test timeout computed to be: 1500
+141: [20:55:12] Rep: 80 Mol:2
+141: [20:55:12] Rep: 80 Mol:6
+141: [20:55:12] Rep: 80 Mol:10
+141: [20:55:12] Rep: 80 Mol:14
+141: [20:55:12] Rep: 80 Mol:18
+141: [20:55:12] Rep: 80 Mol:22
+141: [20:55:12] Rep: 80 Mol:26
+141: [20:55:12] Rep: 80 Mol:30
+151: 468268352
+151: ===============================================================================
+151: All tests passed (73 assertions in 3 test cases)
+151: 
+154/235 Test #151: molAlignCatchTest ......................   Passed    3.21 sec
+test 196
+        Start 196: pyTestTrajectory
+
+196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testTrajectory.py"
+196: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+196: Test timeout computed to be: 1500
+141: [20:55:12] Rep: 80 Mol:1
+141: [20:55:12] Rep: 80 Mol:5
+141: [20:55:12] Rep: 80 Mol:9
+141: [20:55:12] Rep: 80 Mol:13
+141: [20:55:12] Rep: 80 Mol:17
+141: [20:55:12] Rep: 80 Mol:21
+141: [20:55:12] Rep: 80 Mol:25
+141: [20:55:12] Rep: 80 Mol:29
+141: [20:55:12] Rep: 80 Mol:0
+141: [20:55:12] Rep: 80 Mol:4
+70: [20:55:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+70: [20:55:12] Warning: molecule is tagged as 3D, but all Z coords are zero and 2D stereo markers have been found, marking the mol as 2D.
+141: [20:55:12] Rep: 80 Mol:8
+141: [20:55:12] Rep: 80 Mol:12
+141: [20:55:12] Rep: 80 Mol:16
+141: [20:55:12] Rep: 80 Mol:20
+141: [20:55:12] Rep: 80 Mol:24
+141: [20:55:12] Rep: 80 Mol:28
+191: ..
+191: ----------------------------------------------------------------------
+191: Ran 2 tests in 0.029s
+191: 
+191: OK
+143: [20:55:12]   done
+143: [20:55:12] -------------------------------------
+143: [20:55:12]     Test UFF multithreading2
+193: ..
+193: ----------------------------------------------------------------------
+193: Ran 2 tests in 0.012s
+193: 
+193: OK
+155/235 Test #193: pySLNParse .............................   Passed    0.54 sec
+test 197
+        Start 197: pyTestSGroups
+
+197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
+197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+197: Test timeout computed to be: 1500
+182: [20:55:12]   done
+195: ......
+195: ----------------------------------------------------------------------
+195: Ran 6 tests in 0.044s
+195: 
+195: OK
+156/235 Test #191: pyMolInterchange .......................   Passed    0.59 sec
+test 198
+        Start 198: pyTestThreads
+
+198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
+198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+198: Test timeout computed to be: 1500
+182: [20:55:12] -------------------------------------
+182: [20:55:12]     Test3 (stereo options)
+70: ----------------------------------
+70: ----------------------------------
+70: [20:55:12] 
+70: 
+70: ****
+70: Pre-condition Violation
+70: rlabel out of range for MDL files
+70: Violation occurred on line 857 in file ./Code/GraphMol/Atom.cpp
+70: Failed Expression: rlabel >= 0 && rlabel < 100
+70: ----------
+70: Stacktrace:
+70:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+70:  2# RDKit::setAtomRLabel(RDKit::Atom*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+70:  3# 0x00005577C864309F in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  4# 0x00005577C869C50A in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  5# 0x00005577C861CA33 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70:  6# 0x00007F37B5233CA8 in /lib/x86_64-linux-gnu/libc.so.6
+70:  7# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+70:  8# 0x00005577C861CB61 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/FileParsers/fileParsersTest1
+70: ----------
+70: ****
+70: 
+70: [20:55:12] WARNING: could not find number of expected rings. Switching to an approximate ring finding algorithm.
+148: [20:55:12] Molecule does not have explicit Hs. Consider calling AddHs()
+196: [20:55:12] 
+196: 
+196: ****
+196: Pre-condition Violation
+196: from must be < size()
+196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: from < static_cast<int>(size())
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .[20:55:12] 
+196: 
+196: ****
+196: Pre-condition Violation
+196: from must be < size()
+196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: from < static_cast<int>(size())
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+126: Warning: Atom Count for residue GLU150A does not match expected count
+157/235 Test #195: pyTestConformerWrap ....................   Passed    0.50 sec
+test 199
+        Start 199: pyTestMultithreadedMolSupplier
+
+199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
+199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+199: Test timeout computed to be: 1500
+117: =>start test 2 WHIM custom
+117: [20:55:12] test on : 365 molecules done
+182: [20:55:12]     Done (stereo options)
+182: [20:55:12] -------------------------------------
+182: [20:55:12]     Test4 (trusted smiles)
+141: [20:55:12]   done
+141: [20:55:12] -------------------------------------
+141: [20:55:12]     Test MMFF multithreading2
+143: [20:55:12]   done
+143: [20:55:12] -------------------------------------
+143: [20:55:12]     Test UFF multithreading3
+126: Warning: Atom Count for residue ASN157A does not match expected count
+182: [20:55:12]     Done (trusted smiles)
+182: [20:55:12] -------------------------------------
+182: [20:55:12]     Testing C++ docs
+182: [20:55:12]     Done (C++ doc tests)
+182: [20:55:12] -------------------------------------
+182: [20:55:12]     Testing C++ ring query: PatternHolder
+182: [20:55:12]     Done (C++ ring query tests)
+182: [20:55:12] -------------------------------------
+182: [20:55:12]     Testing C++ ring query: TautomerPatternHolder
+182: [20:55:12]     Done (C++ ring query tests)
+182: [20:55:12] -------------------------------------
+182: [20:55:12]    Add Patterns 
+41: [20:55:12] Finished
+41: [20:55:12] testing stability w.r.t. renumbering.
+194: ..............[20:55:12] SMARTS Parse Error: syntax error while parsing: fiib
+194: [20:55:12] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
+111: [20:55:12]   done
+111: [20:55:12] -------------------------------------
+111: [20:55:12]     Test Issue252: Bad definitions for Crippen atom types.
+111: [20:55:12]   done
+111: [20:55:12] -------------------------------------
+111: [20:55:12]     Test calculation of ChiVs.
 160: file testHandDrawn-5a.svg gave hash 3327818543U not the expected 1567781555U
-160: [12:07:10] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:10] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-160: file testHandDrawn-5b.svg gave hash 2125846125U not the expected 66354106U
-160: [12:07:10] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
-160: [12:07:10] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
-151/235 Test #162: pyMolDraw2D ............................   Passed    2.50 sec
-test 171
-        Start 171: testRascalCluster
+160: [20:55:12] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:12] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+194: ....[20:55:12] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+194: [20:55:13] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of ChiNs.
+194: [20:55:13] Spurious data before the first property will be ignored
+194: [20:55:13] Property <ID> will be truncated after the first blank line
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of HallKierAlpha.
+194: [20:55:13] Property <ID> will be truncated after the first blank line
+194: [20:55:13] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [20:55:13] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+194: [20:55:13] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+194: [20:55:13] Spurious data before the first property will be ignored
+194: [20:55:13] Property <ID> will be truncated after the first blank line
+194: [20:55:13] Property <ID> will be truncated after the first blank line
+194: [20:55:13] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+194: [20:55:13] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+194: [20:55:13] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of Kappa1.
+194: [20:55:13] ERROR: Problems encountered parsing data fields
+194: [20:55:13] ERROR: moving to the beginning of the next molecule
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of Kappa2.
+194: [20:55:13] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of Kappa3.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Crippen atom type calculations.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test ring descriptors
+194: .[20:55:13] SMILES Parse Error: syntax error while parsing: fail
+194: [20:55:13] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:13] fail
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test other count descriptors.
+194: [20:55:13] ^
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test MQN
+194: [20:55:13] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
+194: [20:55:13] ERROR: Smiles parse error on line 2
+194: [20:55:13] ERROR: Cannot create molecule from : 'fail'
+194: >>> This may result in an infinite loop.  It should finish almost instantly
+194: <<< OK, it finished.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test GitHub Issue 56.
+111: [20:55:13] WARNING: not removing hydrogen atom without neighbors
+111: [20:55:13] WARNING: not removing hydrogen atom without neighbors
+111: [20:55:13] WARNING: not removing hydrogen atom without neighbors
+111: [20:55:13] WARNING: not removing hydrogen atom without neighbors
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github92: Bad Crippen atom type for pyrrole H.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github362: order dependence  in Kier-Hall descriptors.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test calculation of spiro and bridgehead counts.
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github694: ExactMolWt ignoring the mass of the electron
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Testing Properties and KitchenSink
+111: [20:55:13] ---Caught keyerror (bad property name)---
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test USR Descriptor
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github #1702: AUTOCORR2D.h not installed unless RDK_BUILD_DESCRIPTORS3D but is required
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github #1973: support P and S terms for TPSA calculation
+111: [20:55:13]   done
+111: [20:55:13] -------------------------------------
+111: [20:55:13]     Test Github #2948: Empty molecule has non-zero LabuteASA
+111: [20:55:13]   done
+158/235 Test #111: testDescriptors ........................   Passed    4.76 sec
+test 200
+        Start 200: pyTestPropertyLists
 
-171: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/testRascalCluster
-171: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES
-171: Test timeout computed to be: 1500
+200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
+200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+200: Test timeout computed to be: 1500
+41: [20:55:13] Finished
+41: [20:55:13] testing smiles round-tripping.
+194: ............[20:55:13] Explicit valence for atom # 1 C, 5, is greater than permitted
+148: [20:55:13] Molecule does not have explicit Hs. Consider calling AddHs()
+160: file testHandDrawn-5b.svg gave hash 2125846125U not the expected 66354106U
+160: [20:55:13] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/ComicNeue-Regular.ttf not found.
+160: [20:55:13] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
+141: [20:55:13]   done
+141: [20:55:13] -------------------------------------
+141: [20:55:13]     Test MMFF multithreading3
+196: .[20:55:13] 
+196: 
+196: ****
+196: Range Error
+196: snapshotNum
+196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: 0 < 0
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 23# _PyObject_MakeTpCall in /usr/bin/python3
+196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 25# 0x00000000005BEE79 in /usr/bin/python3
+196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 27# 0x0000000000547080 in /usr/bin/python3
+196: 28# 0x00000000006AB720 in /usr/bin/python3
+196: 29# _PyObject_MakeTpCall in /usr/bin/python3
+196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 31# 0x00000000005BEE79 in /usr/bin/python3
+196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 33# 0x0000000000547080 in /usr/bin/python3
+196: 34# 0x00000000006AB720 in /usr/bin/python3
+196: 35# _PyObject_MakeTpCall in /usr/bin/python3
+196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 37# 0x00000000005BEE79 in /usr/bin/python3
+196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 39# 0x0000000000547080 in /usr/bin/python3
+196: 40# 0x00000000006AB720 in /usr/bin/python3
+196: 41# _PyObject_MakeTpCall in /usr/bin/python3
+196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 43# 0x000000000059582E in /usr/bin/python3
+196: 44# _PyObject_MakeTpCall in /usr/bin/python3
+196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 46# PyEval_EvalCode in /usr/bin/python3
+196: 47# 0x000000000066A861 in /usr/bin/python3
+196: 48# 0x000000000066670C in /usr/bin/python3
+196: 49# 0x000000000067F713 in /usr/bin/python3
+196: 50# 0x000000000067ECE3 in /usr/bin/python3
+196: 51# 0x000000000067EB1E in /usr/bin/python3
+196: 52# Py_RunMain in /usr/bin/python3
+196: 53# Py_BytesMain in /usr/bin/python3
+196: 54# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 56# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .[20:55:13] 
+196: 
+196: ****
+194: ......[20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+196: Pre-condition Violation
+196: The trajectory must have dimension == 3
+196: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: traj.dimension() == 3
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::readAmberTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: ..[20:55:13] 
+196: 
+196: ****
+194: [20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+196: Pre-condition Violation
+196: The trajectory must have dimension == 3
+196: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: traj.dimension() == 3
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::readGromosTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .[20:55:13] 
+196: 
+196: ****
+194: [20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+194: [20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+196: Pre-condition Violation
+196: d_pos must not be NULL
+196: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: d_pos
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: [20:55:13] 
+196: 
+196: ****
+196: Pre-condition Violation
+196: d_trajectory must not be NULL
+196: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: d_trajectory
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .[20:55:13] 
+196: 
+196: ****
+196: Range Error
+196: snapshotNum
+196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: 5 < 5
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 23# _PyObject_MakeTpCall in /usr/bin/python3
+196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 25# 0x00000000005BEE79 in /usr/bin/python3
+196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 27# 0x0000000000547080 in /usr/bin/python3
+196: 28# 0x00000000006AB720 in /usr/bin/python3
+196: 29# _PyObject_MakeTpCall in /usr/bin/python3
+196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 31# 0x00000000005BEE79 in /usr/bin/python3
+196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 33# 0x0000000000547080 in /usr/bin/python3
+196: 34# 0x00000000006AB720 in /usr/bin/python3
+196: 35# _PyObject_MakeTpCall in /usr/bin/python3
+196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 37# 0x00000000005BEE79 in /usr/bin/python3
+196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 39# 0x0000000000547080 in /usr/bin/python3
+196: 40# 0x00000000006AB720 in /usr/bin/python3
+196: 41# _PyObject_MakeTpCall in /usr/bin/python3
+196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 43# 0x000000000059582E in /usr/bin/python3
+196: 44# _PyObject_MakeTpCall in /usr/bin/python3
+196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 46# PyEval_EvalCode in /usr/bin/python3
+196: 47# 0x000000000066A861 in /usr/bin/python3
+196: 48# 0x000000000066670C in /usr/bin/python3
+196: 49# 0x000000000067F713 in /usr/bin/python3
+196: 50# 0x000000000067ECE3 in /usr/bin/python3
+196: 51# 0x000000000067EB1E in /usr/bin/python3
+196: 52# Py_RunMain in /usr/bin/python3
+196: 53# Py_BytesMain in /usr/bin/python3
+196: 54# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 56# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: [20:55:13] 
+196: 
+196: ****
+196: Range Error
+196: pointNum
+196: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: 10 < 10
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .[20:55:13] 
+196: 
+196: ****
+196: Range Error
+196: snapshotNum
+196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: 5 < 5
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 23# _PyObject_MakeTpCall in /usr/bin/python3
+196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 25# 0x00000000005BEE79 in /usr/bin/python3
+196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 27# 0x0000000000547080 in /usr/bin/python3
+196: 28# 0x00000000006AB720 in /usr/bin/python3
+196: 29# _PyObject_MakeTpCall in /usr/bin/python3
+196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 31# 0x00000000005BEE79 in /usr/bin/python3
+196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 33# 0x0000000000547080 in /usr/bin/python3
+196: 34# 0x00000000006AB720 in /usr/bin/python3
+196: 35# _PyObject_MakeTpCall in /usr/bin/python3
+196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 37# 0x00000000005BEE79 in /usr/bin/python3
+196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 39# 0x0000000000547080 in /usr/bin/python3
+196: 40# 0x00000000006AB720 in /usr/bin/python3
+196: 41# _PyObject_MakeTpCall in /usr/bin/python3
+196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 43# 0x000000000059582E in /usr/bin/python3
+196: 44# _PyObject_MakeTpCall in /usr/bin/python3
+196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 46# PyEval_EvalCode in /usr/bin/python3
+196: 47# 0x000000000066A861 in /usr/bin/python3
+196: 48# 0x000000000066670C in /usr/bin/python3
+196: 49# 0x000000000067F713 in /usr/bin/python3
+196: 50# 0x000000000067ECE3 in /usr/bin/python3
+196: 51# 0x000000000067EB1E in /usr/bin/python3
+196: 52# Py_RunMain in /usr/bin/python3
+196: 53# Py_BytesMain in /usr/bin/python3
+196: 54# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 56# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: [20:55:13] 
+196: 
+196: ****
+196: Pre-condition Violation
+196: d_dimension must be == 2
+196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: d_trajectory->dimension() == 2
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: [20:55:13] 
+196: 
+196: ****
+196: Pre-condition Violation
+196: d_dimension must be == 2
+196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
+196: Failed Expression: d_trajectory->dimension() == 2
+196: ----------
+196: Stacktrace:
+196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
+196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
+196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  5# 0x00007FB0BB95066C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 11# 0x00007FB0B95B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 12# 0x00007FB0B95B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 13# 0x00007FB0B95B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 14# 0x00007FB0B95B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 15# 0x00007FB0B95B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 21# 0x00007FB0BB94D406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+196: 22# _PyObject_MakeTpCall in /usr/bin/python3
+196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 24# 0x00000000005BEE79 in /usr/bin/python3
+196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 26# 0x0000000000547080 in /usr/bin/python3
+196: 27# 0x00000000006AB720 in /usr/bin/python3
+196: 28# _PyObject_MakeTpCall in /usr/bin/python3
+196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 30# 0x00000000005BEE79 in /usr/bin/python3
+196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 32# 0x0000000000547080 in /usr/bin/python3
+196: 33# 0x00000000006AB720 in /usr/bin/python3
+196: 34# _PyObject_MakeTpCall in /usr/bin/python3
+196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 36# 0x00000000005BEE79 in /usr/bin/python3
+196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 38# 0x0000000000547080 in /usr/bin/python3
+196: 39# 0x00000000006AB720 in /usr/bin/python3
+196: 40# _PyObject_MakeTpCall in /usr/bin/python3
+196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 42# 0x000000000059582E in /usr/bin/python3
+196: 43# _PyObject_MakeTpCall in /usr/bin/python3
+196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
+196: 45# PyEval_EvalCode in /usr/bin/python3
+196: 46# 0x000000000066A861 in /usr/bin/python3
+196: 47# 0x000000000066670C in /usr/bin/python3
+196: 48# 0x000000000067F713 in /usr/bin/python3
+196: 49# 0x000000000067ECE3 in /usr/bin/python3
+196: 50# 0x000000000067EB1E in /usr/bin/python3
+196: 51# Py_RunMain in /usr/bin/python3
+196: 52# Py_BytesMain in /usr/bin/python3
+196: 53# 0x00007FB0BC0F9CA8 in /lib/x86_64-linux-gnu/libc.so.6
+196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+196: 55# _start in /usr/bin/python3
+196: ----------
+196: ****
+196: 
+196: .
+196: ----------------------------------------------------------------------
+196: Ran 9 tests in 0.562s
+196: 
+196: OK
+196: Testing Trajectory wrapper
+194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
+70: [20:55:13] SMARTS Parse Error: syntax error while parsing: MyDogHasFleas
+70: [20:55:13] SMARTS Parse Error: Failed parsing SMARTS 'MyDogHasFleas' for input: 'MyDogHasFleas'
+143: [20:55:13]   done
+143: [20:55:13] -------------------------------------
+143: [20:55:13]     Testing GitHubIssue62.
 160: file testHandDrawn-5.png gave hash 2537746017U not the expected 828378555U
+143: [20:55:13] beta-lactam 39.6387
+143: [20:55:13] cyclopropanone 174.698
+143: [20:55:13] aziridine 337.986
+143: [20:55:13] aziridinone 115.248
+143: [20:55:13] isobutene 2.48217
+143: [20:55:13] acetone 1.91788
+143: [20:55:13] cyclopentanone 10.1648
+143: [20:55:13] cyclopropene 99.4921
 160: file testBrackets-5a.svg gave hash 279553678U not the expected 1447240271U
-148: [12:07:11] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ........[20:55:13] non-ring atom 0 marked aromatic
+159/235 Test #196: pyTestTrajectory .......................   Passed    0.99 sec
+143: [20:55:13] cyclobutene 41.0156
+test 201
+        Start 201: pyCDXMLTest
+
+201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
+201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
+201: Test timeout computed to be: 1500
+194: [20:55:13] non-ring atom 0 marked aromatic
+194: [20:55:13] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x00007F472A283170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+143: [20:55:13] cyclopropane 267.236
+194: [20:55:13] non-ring atom 0 marked aromatic
+194: [20:55:13] non-ring atom 0 marked aromatic
+194: [20:55:13] 
+194: 
+194: ****
+70: [20:55:13] Empty atom list: 'M  ALS   1  0 F' on line 8.
+143: [20:55:13] gamma-lactam 15.7471
+172: ....
+172: ----------------------------------------------------------------------
+172: Ran 14 tests in 3.063s
+172: 
+172: OK
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 12 < 6
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# 0x00007F472A283170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+160/235 Test  #70: fileParsersTest1 .......................   Passed    5.28 sec
+test 202
+        Start 202: molStandardizeTest
+
+202: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
+202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+202: Test timeout computed to be: 1500
+197: .............
+197: ----------------------------------------------------------------------
+197: Ran 13 tests in 0.052s
+197: 
+197: OK
+197: Testing SubstanceGroups wrapper
+194: ...............[20:55:13] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+194: [20:55:13] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
+143: [20:55:13] trans-2,3-diphenylcyclopropan-1-one 203.398
 160: file testPositionVariation-1b.svg gave hash 3055422087U not the expected 3269244452U
-148: [12:07:11] Molecule does not have explicit Hs. Consider calling AddHs()
-160: [12:07:11] unrecognized bond typefile testGithub4238_1.png gave hash 1999044295U not the expected 2623427676U
+161/235 Test  #43: resMolSupplierTest .....................   Passed    5.64 sec
+test 203
+        Start 203: molNormalizeTest
+
+203: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
+203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+203: Test timeout computed to be: 1500
+162/235 Test #197: pyTestSGroups ..........................   Passed    0.85 sec
+test 204
+        Start 204: molValidateTest
+
+204: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
+204: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+204: Test timeout computed to be: 1500
+163/235 Test #172: pyRascalMCES ...........................   Passed    3.74 sec
+test 205
+        Start 205: molChargeTest
+
+205: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
+205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+205: Test timeout computed to be: 1500
+143: [20:55:13] cis-2,3-diphenylcyclopropan-1-one 206.852
+194: ..............[20:55:13] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+194: [20:55:13] Explicit valence for atom # 1 C, 5, is greater than permitted
+143: [20:55:13] 2,3-diphenylcyclopropa-2-en-1-one 20.0443
+203: [20:55:13] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
+41: [20:55:13] Finished
+41: [20:55:13] testing github #1567: Non-canonical result from MolFragmentToSmiles()
+41: [20:55:13] Finished
+164/235 Test  #41: hanoiTest ..............................   Passed    5.75 sec
+test 206
+        Start 206: molTautomerTest
+
+206: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
+206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+206: Test timeout computed to be: 1500
+200: [20:55:13] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:13] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:13] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .[20:55:13] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:13] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:13] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: ...[20:55:13] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
+200: [20:55:13] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
+200: [20:55:13] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
+200: .
+200: ----------------------------------------------------------------------
+200: Ran 5 tests in 0.015s
+200: 
+200: OK
+143: [20:55:13] cyclopropylidencyclobutane 218.879
+160: [20:55:13] unrecognized bond typefile testGithub4238_1.png gave hash 1999044295U not the expected 2623427676U
+204: ERROR: [FeaturesValidation] Query atom 0 is not allowed
+204: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed
+204: ERROR: [FeaturesValidation] Query bond 0 is not allowed
+204: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed
+204: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed
+204: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed
+204: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed
 160: file testGithub4323_1.png gave hash 1674734291U not the expected 3075787867U
-148: [12:07:12] Molecule does not have explicit Hs. Consider calling AddHs()
-160: file testGithub4323_3.png gave hash 4270327094U not the expected 381907253U
-160: [12:07:13] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
-150: ***********************************************************
-150: Testing O3AAlign
-150: 	---------------------------------
-150: 	 testMMFFO3A 
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A 
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with constraints
-150: 
-150: 	---------------------------------
-150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
-150: 
-150: 	---------------------------------
-150: 	 testMMFFO3A multithreading
-150: 
-150: generating reference data
+204: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed
+204: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds.
+204: here
+204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
+204: there
+204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
+165/235 Test #204: molValidateTest ........................   Passed    0.12 sec
+test 207
+        Start 207: molStandardizeSmallTest
+
+207: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
+207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+207: Test timeout computed to be: 1500
+166/235 Test #200: pyTestPropertyLists ....................   Passed    0.41 sec
+test 208
+        Start 208: molFragmentTest
+
+208: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
+208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+208: Test timeout computed to be: 1500
+117: =>start test 1 WHIM custom
+117: [20:55:13] test on : 365 molecules done
+143: [20:55:13] diphenylmethylidencyclobutane 79.6139
+143: [20:55:13]   done
+143: [20:55:13] -------------------------------------
+143: [20:55:13]     Test Github Issue 613: UFF Atom type not properly assigned to lanthanides.
+143: [20:55:13]   done
+143: [20:55:13] -------------------------------------
+143: [20:55:13]     Test square planar complexes
+143: [20:55:13]   done
+143: [20:55:13] -------------------------------------
+143: [20:55:13]     Test octahedral complexes
+143: [20:55:13]   done
+167/235 Test #143: testUFFForceFieldHelpers ...............   Passed    4.67 sec
+test 209
+        Start 209: molStandardizeCatchTest
+
+209: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
+209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+209: Test timeout computed to be: 1500
+141: [20:55:13]   done
+141: [20:55:13] -------------------------------------
+141: [20:55:13]     Testing github 162: Incorrect SMILES after MMFF parameterization .
+141: [20:55:13]   done
+141: [20:55:13] -------------------------------------
+141: [20:55:13]     Testing github 224: crash during MMFF parameterization .
+141: [20:55:13]   done
+141: [20:55:13] -------------------------------------
+141: [20:55:13]     Testing github6728: crash due to missing stretch-bend params.
+168/235 Test #141: testMMFFForceFieldHelpers ..............   Passed    4.70 sec
+test 210
+        Start 210: molStandardizePipelineTest
+
+210: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
+210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
+210: Test timeout computed to be: 1500
+199: .s.
+199: ----------------------------------------------------------------------
+199: Ran 3 tests in 0.154s
+199: 
+199: OK (skipped=1)
+199: Testing Smiles and SD MultithreadedMolSupplier
+210: Randomness seeded to: 2465969164
+210: 1 Counts line too short: '' on line4
+210: 1 Could not instantiate a valid molecule from input
+169/235 Test #207: molStandardizeSmallTest ................   Passed    0.08 sec
+test 211
+        Start 211: pyMolStandardize
+
+211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
+211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
+211: Test timeout computed to be: 1500
+210: 8 Molecule has no atoms
+210: [20:55:13] Explicit valence for atom # 1 N, 4, is greater than permitted
+210: [20:55:13] Explicit valence for atom # 1 N, 4, is greater than permitted
+210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
+210: 128 An error occurred while preparing the molecule for standardization.
+170/235 Test #205: molChargeTest ..........................   Passed    0.18 sec
+test 212
+        Start 212: testScaffoldNetwork
+
+212: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
+212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
+212: Test timeout computed to be: 1500
+203: [20:55:13] Initializing Normalizer
+203: [20:55:13] Running Normalizer
+203: [20:55:13] Rule applied: BrokenazidetoN=N+=N-
+203: [20:55:13] Initializing Normalizer
+203: [20:55:13] Running Normalizer
+203: [20:55:13] Initializing Normalizer
+203: [20:55:13] Running Normalizer
+210: 8 The molecule contains an unknown isotope: 3C
+210: 4 Query atom 0 is not allowed
+208: [20:55:13] SMARTS Parse Error: syntax error while parsing: [Cl
+208: [20:55:13] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
+171/235 Test #203: molNormalizeTest .......................   Passed    0.23 sec
+172/235 Test #208: molFragmentTest ........................   Passed    0.09 sec
+test 213
+        Start 213: pyScaffoldNetwork
+
+213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
+213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+213: Test timeout computed to be: 1500
+test 214
+        Start 214: pyScaffoldNetworkPickling
+
+214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
+214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
+214: Test timeout computed to be: 1500
+210: 4 Bond 0 of aromatic type is not allowed
+210: 4 Bond 1 of aromatic type is not allowed
+210: 4 Bond 2 of aromatic type is not allowed
+210: 4 Bond 3 of aromatic type is not allowed
+210: 4 Bond 5 of aromatic type is not allowed
+210: 4 Bond 6 of aromatic type is not allowed
+210: 4 Bond 2 of dative type is not allowed
+210: 4 Bond 3 of dative type is not allowed
+210: 4 Enhanced stereochemistry features are not allowed
+210: 8 The radical at atom 0 is not allowed
+210: [20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+210: 16 The molecule includes non-null Z coordinates
+210: 32 Atom 0 too close to bond 2
+210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
+210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+210: [20:55:13] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+210: 16 The molecule includes non-null Z coordinates
+210: 64 Atom 0 has adjacent stereo bonds with like orientation
+173/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    0.96 sec
+test 215
+        Start 215: testMolEnumerator
+
+215: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
+215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator
+215: Test timeout computed to be: 1500
+210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The representation of some functional groups was adjusted.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+215: Randomness seeded to: 945740662
+215: [20:55:13] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
 169: .........
 169: ----------------------------------------------------------------------
-169: Ran 9 tests in 3.004s
+169: Ran 9 tests in 3.798s
 169: 
 169: OK
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 8388608 One or more metal atoms were disconnected.
+210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
+210: 67108864 The protonation state was adjusted.
+210: 16777216 The "wavy" style of bond 4 was removed
+210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 2 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 1 was removed
+215: ===============================================================================
+215: All tests passed (321 assertions in 16 test cases)
+215: 
+210: 16777216 The "wavy" style of bond 4 was removed
+174/235 Test #215: testMolEnumerator ......................   Passed    0.11 sec
+test 216
+        Start 216: pyMolEnumerator
+
+216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
+216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
+216: Test timeout computed to be: 1500
+210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
+210: 16777216 The "wavy" style of bond 3 was removed
+210: 16777216 The representation of some functional groups was adjusted.
+210: [20:55:13] Can't kekulize mol.  Unkekulized atoms: 2 3 5
+210: ===============================================================================
+210: All tests passed (268 assertions in 5 test cases)
+210: 
+175/235 Test #210: molStandardizePipelineTest .............   Passed    0.25 sec
+test 217
+        Start 217: testAbbreviations
+
+217: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
+217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations
+217: Test timeout computed to be: 1500
 163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
 163: Time elapsed 0.001 seconds
 163: 
 163:  test32()
 163: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds
-163: Time elapsed 0.196 seconds
+163: Time elapsed 0.180 seconds
 163: 
 163:  test190()
 163: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](:[#7]:[#6]:2:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:1 19 atoms, 21 bonds
-163: Time elapsed 0.031 seconds
+163: Time elapsed 0.022 seconds
 163: 
 163:  test3()
 163: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds
-163: Time elapsed 0.043 seconds
+163: Time elapsed 0.030 seconds
 163: 
 163: testSimpleFast()
 163: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds
-163: Time elapsed 0.358 seconds
+163: Time elapsed 0.240 seconds
 163: 
 163: testSimple()
 163: MCS: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.438 seconds
+163: Time elapsed 0.135 seconds
 163: MCS MatchFusedRings: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.308 seconds
+163: Time elapsed 0.201 seconds
 163: MCS MatchFusedRingsStrict: [#6]-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6])-&!@[#6](-&!@[#7]-&!@[#6])=&!@[#8] 15 atoms, 14 bonds
-163: Time elapsed 0.214 seconds
+163: Time elapsed 0.346 seconds
 163: 
 163: testSegFault()
 163: MCS: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.023 seconds
+163: Time elapsed 1.007 seconds
 163: MCS MatchFusedRings: [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 6 atoms, 6 bonds
-163: Time elapsed 0.023 seconds
+163: Time elapsed 0.031 seconds
 163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@[#6;r6,!R1]:&@1 6 atoms, 6 bonds
 163: Time elapsed 0.026 seconds
 163: 
@@ -30089,11 +31670,11 @@
 163: 
 163: testRing1()
 163: MCS: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.618 seconds
+163: Time elapsed 0.730 seconds
 163: MCS MatchFusedRings: [#6]-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#7]:&@[#6]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 16 atoms, 17 bonds
-163: Time elapsed 0.682 seconds
+163: Time elapsed 0.773 seconds
 163: MCS MatchFusedRingsStrict: [#6;r6,!R1]1:&@[#6;r6,!R1]:&@[#7;r6,!R1]:&@[#6;r6,!R1](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6](-&!@[#6])-&!@[#6] 12 atoms, 12 bonds
-163: Time elapsed 1.402 seconds
+163: Time elapsed 0.704 seconds
 163: 
 163: testAtomCompareIsotopes()
 163: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds
@@ -30117,34 +31698,67 @@
 163: 
 163: testJnk1LigandsDistance()
 163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7])-[#6]#[#7] CCOc1nc(NC(=O)Cc2ccccc2)cc(N)c1C#N 22 atoms, 23 bonds
-163: Time elapsed 0.033 seconds
+163: Time elapsed 0.009 seconds
 163: MCS: [#6]-[#6]-[#8]-[#6]1:[#6](:[#6](:[#6]:[#6](:[#7]:1)-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8])-[#7])-[#6]#[#7] *c1cccc(CC(=O)Nc2cc(N)c(C#N)c(OCC)n2)c1 23 atoms, 24 bonds
-152/235 Test #169: pyMMPA .................................   Passed    3.73 sec
-test 172
-        Start 172: pyRascalMCES
+217: Randomness seeded to: 1467259859
+217: [20:55:13] SMARTS Parse Error: syntax error while parsing: *fail
+217: [20:55:13] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
+176/235 Test #169: pyMMPA .................................   Passed    4.23 sec
+test 218
+        Start 218: pyAbbreviations
 
-172: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/Wrap/testRascalMCES.py"
-172: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RascalMCES/Wrap
-172: Test timeout computed to be: 1500
+218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
+218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
+218: Test timeout computed to be: 1500
+217: [20:55:13] no suitable SubstanceGroups found
+217: ===============================================================================
+217: All tests passed (195 assertions in 12 test cases)
+217: 
+177/235 Test #217: testAbbreviations ......................   Passed    0.07 sec
+test 219
+        Start 219: generalizedSubstructCatch
+
+219: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
+219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
+219: Test timeout computed to be: 1500
+209: Randomness seeded to: 3581836843
+209:  * - * - * - * m1
+209:  * - * - * - * m2
+209:  * - * - * - * m1
+209:  * - * - * - * m2
+209: [20:55:13] Can't kekulize mol.  Unkekulized atoms: 3 7
+201: .
+201: ----------------------------------------------------------------------
+201: Ran 1 test in 0.017s
+201: 
+201: OK
+209: [20:55:13] Can't kekulize mol.  Unkekulized atoms: 3 8
+209: [20:55:13] Can't kekulize mol.  Unkekulized atoms: 2 3 4
+214: .
+214: ----------------------------------------------------------------------
+214: Ran 1 test in 0.016s
+214: 
+214: OK
+160: file testGithub4323_3.png gave hash 4270327094U not the expected 381907253U
 163: Time elapsed 0.002 seconds
 163: 
 163: test18()
 163: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH:6]([CH3:7])[c:8]2[n:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[cH:19][cH:20][cH:21]1
 163: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds
-163: Time elapsed 0.053 seconds
+163: Time elapsed 0.008 seconds
 163: 
 163: test504()
 163: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4]([CH:5]1[CH2:6][CH:7]1[c:8]1[c:9][c:10]([Cl:11])[c:12]([Cl:13])[cH:14][c:15]1)=[O:16])[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1
 163: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds
-163: Time elapsed 0.395 seconds
+163: Time elapsed 0.102 seconds
 163: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds
-163: Time elapsed 0.008 seconds
+163: Time elapsed 0.001 seconds
 163: MCS: [#6]1-[#6]-[#7]-[#6](-[#6]-[#7]-1-[#6]1:[#6](:[#6]:[#6]2:[#6](:[#6](:[#6]:[#7](-[#6]3-[#6]-[#6]-3):[#6]:2:[#6]:1)-[#6](=[#8])-[#8])=[#8])-[#9])-[#6] 25 atoms, 28 bonds
-163: Time elapsed 0.136 seconds
+163: Time elapsed 0.034 seconds
 163: Query Cc1c(F)c(N2CCNC(C)C2)cc2c1c(=O)c(C(=O)O)cn2C1CC1 26(26) atoms, 29(28) bonds
-163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0020 seconds. bond[0]=6
+163: 1 Seeds:1 MCS 25 atoms, 28 bonds for 0.0011 seconds. bond[0]=6
 163: STATISTICS:
-163: Total Growing Steps  = 1, MCS found on 1 step, for 0.0020 seconds
+163: Total Growing Steps  = 1, MCS found on 1 step, for 0.0011 seconds
 163: Initial   Seeds      = 1,  Mismatched 0
 163: Inspected Seeds      = 2
 163: Rejected by BestSize = 0
@@ -30163,7 +31777,7 @@
 163: HashFoundInCache= 0
 163: ExactMatchCalls = 0
 163: ExactMatchFound = 0
-163: Time elapsed 0.002 seconds
+163: Time elapsed 0.001 seconds
 163: query=OCCl SubstructMatch(useChirality=false) res =1 size=3
 163: query=OCCl SubstructMatch(useChirality=true ) res =1 size=3
 163: test target = O[C@H](F)CCl query = C(F)C useChirality = 0
@@ -30221,6 +31835,7 @@
 163: res sub = 0 size=0
 163: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds
 163: test target = OC(F)CCl query = OC(F)C useChirality = 0
+178/235 Test #201: pyCDXMLTest ............................   Passed    0.78 sec
 163: res sub = 1 size=4
 163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
 163: test target = OC(F)CCl query = OC(F)C useChirality = 1
@@ -30233,6 +31848,12 @@
 163: res sub = 0 size=0
 163: MCS: [#9] 1 atoms, 0 bonds
 163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0
+test 220
+        Start 220: pyGeneralizedSubstruct
+
+220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
+220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
+220: Test timeout computed to be: 1500
 163: res sub = 1 size=4
 163: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds
 163: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1
@@ -30259,192 +31880,565 @@
 163: res sub = 1 size=3
 163: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds
 163: 	done
+160: [20:55:13] FIELDDISP info not found for DAT SGroup which isn't associated with an atom. SGroup will not be rendered.
+213: .......
+213: ----------------------------------------------------------------------
+213: Ran 7 tests in 0.059s
+213: 
+213: OK
+179/235 Test #213: pyScaffoldNetwork ......................   Passed    0.47 sec
+test 221
+        Start 221: testMolProcessing
+
+221: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
+221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing
+221: Test timeout computed to be: 1500
+180/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    0.46 sec
+test 222
+        Start 222: pyMolProcessing
+
+222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
+222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
+222: Test timeout computed to be: 1500
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ............................[20:55:14]  unable to set wavy bonds for double bonds: 3
+194: .............[20:55:14] 
+194: 
+194: ****
+194: Range Error
+194: idx
+194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
+194: Failed Expression: 6 < 5
+194: ----------
+194: Stacktrace:
+194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  6# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
+194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
+194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
+194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
+194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
+194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
+194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 21# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 27# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 28# _PyObject_MakeTpCall in /usr/bin/python3
+194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 30# 0x00000000005BEE79 in /usr/bin/python3
+194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 32# 0x0000000000547080 in /usr/bin/python3
+194: 33# 0x00000000006AB720 in /usr/bin/python3
+194: 34# _PyObject_MakeTpCall in /usr/bin/python3
+194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 36# 0x00000000005BEE79 in /usr/bin/python3
+194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 38# 0x0000000000547080 in /usr/bin/python3
+194: 39# 0x00000000006AB720 in /usr/bin/python3
+194: 40# _PyObject_MakeTpCall in /usr/bin/python3
+194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 42# 0x00000000005BEE79 in /usr/bin/python3
+194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 44# 0x0000000000547080 in /usr/bin/python3
+194: 45# 0x00000000006AB720 in /usr/bin/python3
+194: 46# _PyObject_MakeTpCall in /usr/bin/python3
+194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 48# 0x000000000059582E in /usr/bin/python3
+194: 49# _PyObject_MakeTpCall in /usr/bin/python3
+194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
+194: 51# PyEval_EvalCode in /usr/bin/python3
+194: 52# 0x000000000066A861 in /usr/bin/python3
+194: 53# 0x000000000066670C in /usr/bin/python3
+194: 54# 0x000000000067F713 in /usr/bin/python3
+194: 55# 0x000000000067ECE3 in /usr/bin/python3
+194: 56# 0x000000000067EB1E in /usr/bin/python3
+194: 57# Py_RunMain in /usr/bin/python3
+194: 58# Py_BytesMain in /usr/bin/python3
+194: 59# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+194: 61# _start in /usr/bin/python3
+194: ----------
+194: ****
+194: 
+219: Randomness seeded to: 107669361
+219: ===============================================================================
+219: All tests passed (486 assertions in 10 test cases)
+219: 
+181/235 Test #219: generalizedSubstructCatch ..............   Passed    0.31 sec
+test 223
+        Start 223: testMIF
+
+223: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
+223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields
+223: Test timeout computed to be: 1500
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+188: ....................
+188: ----------------------------------------------------------------------
+188: Ran 20 tests in 2.174s
+188: 
+188: OK
+182/235 Test #188: pyRGroupDecomposition ..................   Passed    2.58 sec
+test 224
+        Start 224: pyMIF
+
+224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
+224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
+224: Test timeout computed to be: 1500
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
+223: Randomness seeded to: 3859905041
+223: ===============================================================================
+223: All tests passed (27926 assertions in 8 test cases)
+223: 
+183/235 Test #223: testMIF ................................   Passed    0.15 sec
+test 225
+        Start 225: testQuery
+
+225: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/testQuery
+225: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query
+225: Test timeout computed to be: 1500
+29: All 191 tests passed
+218: .......
+218: ----------------------------------------------------------------------
+218: Ran 7 tests in 0.052s
+218: 
+218: OK
+225: Query
+225: Query2
+225: Equality
+225: Greater
+225: GreaterEqual
+225: Less
+225: LessEqual
+225: Open Range
+225: Closed Range
+225: Float
+225: With Tolerance
+225: Set
+225: And
+225: Or
+225: XOr
+225: pointer and copy foo
+225: Set2
+184/235 Test #225: testQuery ..............................   Passed    0.01 sec
+test 226
+        Start 226: testBaseFeatures
+
+226: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/testBaseFeatures
+226: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features
+226: Test timeout computed to be: 1500
+226: -------------------------------------
+226: Basics for ExplicitFeatures.
+226:   done
+226: -------------------------------------
+226: Basics for ImplicitFeatures.
+226:   done
+226: -------------------------------------
+226: ExplicitFeatures 2D, string type.
+226:   done
+185/235 Test #226: testBaseFeatures .......................   Passed    0.01 sec
+test 227
+        Start 227: testMatCalc
+
+227: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
+227: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc
+227: Test timeout computed to be: 1500
+227: 1.68022e+08
+227: 1.73149e+08
+227: 1.05549e+08
+227: 7.20603e+07
+227: 1.41535e+08
+227: 1.08592e+08
+227: 1.11334e+08
+227: 2.05553e+08
+227: 1.54962e+08
+227: 8.08231e+07
+227: 5.61421e+07
+227: 1.28874e+08
+227: 1.59011e+08
+227: 8.69902e+07
+227: 1.31367e+08
+227: 2.27389e+08
+227: 1.60289e+08
+227: 7.79813e+07
+227: 1.61001e+08
+227: 2.07599e+08
+227: 2.24432e+08
+227: 1.39725e+08
+227: 2.42614e+08
+227: 1.77578e+08
+227: 1.05908e+08
+227: 9.06742e+07
+227: 1.8087e+08
+227: 1.98182e+08
+227: 2.03052e+08
+227: 1.7673e+08
+227: 9.32798e+07
+227: 1.37969e+08
+227: 1.83778e+08
+227: 2.1228e+08
+227: 5.06157e+07
+227: 1.566e+08
+227: 2.37142e+08
+227: 1.49345e+08
+227: 7.05819e+07
+227: 1.71633e+08
+227: 1.96817e+08
+227: 2.18246e+08
+227: 9.49496e+07
+227: 2.25618e+08
+227: 1.30219e+08
+186/235 Test #227: testMatCalc ............................   Passed    0.01 sec
+test 228
+        Start 228: pyMatCalc
+
+228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
+228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
+228: Test timeout computed to be: 1500
+216: ...
+216: ----------------------------------------------------------------------
+216: Ran 3 tests in 0.030s
+216: 
+216: OK
 160: file testFlexiCanvas.2a.png gave hash 2907977766U not the expected 2609920321U
 160: file testFlexiCanvas.2b.png gave hash 1585391483U not the expected 3615599154U
+187/235 Test #218: pyAbbreviations ........................   Passed    0.61 sec
+test 229
+        Start 229: testSimDivPickers
+
+229: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers
+229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
+229: Test timeout computed to be: 1500
 160: file testFlexiCanvas.3.svg gave hash 236661785U not the expected 3544316588U
+229: [20:55:14] -------------------------------------
+229: [20:55:14] Testing github issue 1421: MaxMinPicker picking non-existent element.
+229: [20:55:14] Done
+229: [20:55:14] -------------------------------------
+229: [20:55:14] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
+229: [20:55:14] Done
+188/235 Test #229: testSimDivPickers ......................   Passed    0.02 sec
+test 230
+        Start 230: pickersTestsCatch
+
+230: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
+230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
+230: Test timeout computed to be: 1500
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_dative.smi...
 160: file testGithub4764.sz1.svg gave hash 2364628953U not the expected 3611125861U
 160: file testGithub4764.sz2.svg gave hash 1490175526U not the expected 1936114454U
 160: file testGithub4764.sz3.svg gave hash 1662881340U not the expected 2712214121U
 160: file testGithub4764.sz1.png gave hash 1417438968U not the expected 2179222277U
-172: ..........[12:07:15] Too many matching bond pairs (1032) so can't continue.
+146: validating reference data
+206: [20:55:14] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+189/235 Test #216: pyMolEnumerator ........................   Passed    0.80 sec
+test 231
+        Start 231: pySimDivPickers
+
+231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
+231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap
+231: Test timeout computed to be: 1500
+220: .......
+220: ----------------------------------------------------------------------
+220: Ran 7 tests in 0.202s
+220: 
+220: OK
 160: file testGithub4764.sz2.png gave hash 2455997703U not the expected 444262090U
+190/235 Test #220: pyGeneralizedSubstruct .................   Passed    0.60 sec
+test 232
+        Start 232: pyRanker
+
+232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
+232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap
+232: Test timeout computed to be: 1500
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
 160: file testGithub4764.sz3.png gave hash 182513311U not the expected 3567162200U
-148: .[12:07:15] Molecule does not have explicit Hs. Consider calling AddHs()
+230: Randomness seeded to: 1573188836
+230: ===============================================================================
+230: All tests passed (21267 assertions in 1 test case)
+230: 
+191/235 Test #230: pickersTestsCatch ......................   Passed    0.16 sec
+test 233
+        Start 233: testChemicalFeatures
+
+233: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
+233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures
+233: Test timeout computed to be: 1500
+233: -----------------------------------------
+233: Test1
+233: Done
+192/235 Test #233: testChemicalFeatures ...................   Passed    0.01 sec
+test 234
+        Start 234: pyFeatures
+
+234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
+234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap
+234: Test timeout computed to be: 1500
 160: file github5383_1.svg gave hash 4241964660U not the expected 1815941817U
+222: ..
+222: ----------------------------------------------------------------------
+222: Ran 2 tests in 0.300s
+222: 
+222: OK
 160: file github5383_2.svg gave hash 2560846108U not the expected 0U
 160: file github5383_1.png gave hash 53778753U not the expected 2893520928U
 160: file acs1996_1.png gave hash 1997633690U not the expected 2329725800U
 160: file acs1996_2.png gave hash 3378065352U not the expected 2996350718U
 160: file acs1996_3.svg gave hash 3058522544U not the expected 879041204U
-126: Warning: Atom Count for residue GLU5A does not match expected count
-126: Warning: Atom Count for residue ASN39A does not match expected count
-126: Warning: Atom Count for residue GLU53A does not match expected count
-126: Warning: Atom Count for residue ARG64A does not match expected count
-126: Warning: Atom Count for residue LYS80A does not match expected count
-126: Warning: Atom Count for residue GLU150A does not match expected count
-126: Warning: Atom Count for residue ASN157A does not match expected count
-160: [12:07:15] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
-126: .[12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: .[12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: ..[12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ...[12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: [12:07:16] DEPRECATION WARNING: please use MorganGenerator
-126: ....[12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: ....[12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: [12:07:16] DEPRECATION WARNING: please use AtomPairGenerator
-126: .[12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ..[12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: .[12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: [12:07:16] DEPRECATION WARNING: please use TopologicalTorsionGenerator
-126: ...
-126: ----------------------------------------------------------------------
-126: Ran 31 tests in 18.018s
-126: 
-126: OK
-126: exactmw 78.046950192
-126: amw 78.11399999999999
-126: lipinskiHBA 0.0
-126: lipinskiHBD 0.0
-126: NumRotatableBonds 0.0
-126: NumHBD 0.0
-126: NumHBA 0.0
-126: NumHeavyAtoms 6.0
-126: NumAtoms 12.0
-126: NumHeteroatoms 0.0
-126: NumAmideBonds 0.0
-126: FractionCSP3 0.0
-126: NumRings 1.0
-126: NumAromaticRings 1.0
-126: NumAliphaticRings 0.0
-126: NumSaturatedRings 0.0
-126: NumHeterocycles 0.0
-126: NumAromaticHeterocycles 0.0
-126: NumSaturatedHeterocycles 0.0
-126: NumAliphaticHeterocycles 0.0
-126: NumSpiroAtoms 0.0
-126: NumBridgeheadAtoms 0.0
-126: NumAtomStereoCenters 0.0
-126: NumUnspecifiedAtomStereoCenters 0.0
-126: labuteASA 37.43140311949697
-126: tpsa 0.0
-126: CrippenClogP 1.6866
-126: CrippenMR 26.441999999999993
-126: chi0v 3.464101615137755
-126: chi1v 2.0000000000000004
-126: chi2v 0.6666666666666671
-126: chi3v 0.6666666666666671
-126: chi4v 0.38490017945975075
-126: chi0n 3.464101615137755
-126: chi1n 2.0000000000000004
-126: chi2n 0.6666666666666671
-126: chi3n 0.6666666666666671
-126: chi4n 0.38490017945975075
-126: hallKierAlpha -0.78
-126: kappa1 3.4115708812260532
-126: kappa2 1.6057694396735218
-126: kappa3 0.5823992601400448
-126: Phi 0.9130327103921437
-126: CustomNumAtoms 6.0
-126: exactmw 78.046950192
-126: lipinskiHBA 0.0
+160: [20:55:14] ACS drawing mode works best with a flexiCanvas i.e. a drawer created with width and height of -1.  The scale will be fixed, and that may not look great with a pre-determined size.
 160: file bond_highlights_8.svg gave hash 3610726614U not the expected 3119784980U
-153/235 Test #126: pyMolDescriptors .......................   Passed   19.82 sec
-test 173
-        Start 173: testSynthonSpaceSubstructureSearch
+224: .......
+224: ----------------------------------------------------------------------
+224: Ran 7 tests in 0.094s
+224: 
+224: OK
+224: Testing MIF wrapper
+193/235 Test #222: pyMolProcessing ........................   Passed    0.72 sec
+test 235
+        Start 235: pythonProjectTests
 
-173: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch/testSynthonSpaceSubstructureSearch
-173: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SynthonSpaceSearch
-173: Test timeout computed to be: 1500
-150: processing
-150:  launch :0
-150:  launch :1
-150:  launch :2
-150:  launch :3
+235: Test command: /usr/bin/python3 "-m" "pytest"
+235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
+235: Test timeout computed to be: 1500
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
 160: file test_github6112.svg gave hash 3865338574U not the expected 3278777629U
-146: processing
-146:  launch :0
-146:  launch :1
-146:  launch :2
-146:  launch :3
-172: ....
-172: ----------------------------------------------------------------------
-172: Ran 14 tests in 4.922s
-172: 
-172: OK
+194/235 Test #224: pyMIF ..................................   Passed    0.56 sec
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test GitHub Issue 258: Bad pattern fingerprint for query molecule
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP.
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test GitHub Issue 695: Include cis/trans stereochemistry when useChirality=true with the morgan fingerprints
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test GitHub Issue 811: rooted atom fingerprint non identical for the same molecules #811
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test unfolded version of RDKFP   
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Test bitinfo of RDKFP   
+128:    562:  [ 2 ], 
+128:    709:  [ 0 1 ], 
+128:    1118:  [ 0 1 2 ], 
+128:    1183:  [ 1 2 ], 
+128:    1233:  [ 0 1 2 ], 
+128:    1308:  [ 0 ],  [ 1 ], 
+128:    1339:  [ 2 ], 
+128:    1728:  [ 1 2 ], 
+128:    1772:  [ 0 ],  [ 1 ], 
+128:    1813:  [ 0 1 ], 
+128:   ------------ 
+128: [20:55:14] -------------------------------------
+128: [20:55:14]     Single atoms setting radius 1 bits in Morgan fingerprints  
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #879: Pattern fingerprint should set bits for single-atom fragments.
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #1496: Pattern fingerprint setting bad bits for degree zero atoms
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #1793: Fingerprint segfaults with branchedPaths=False and useHs=False
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #1993: fingerprinters that use R/S labels should force a call to assignStereochemistry() if it hasn't already been called
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use AtomPairGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #2115: BitInfo not complete for RDKFingerprint
+128: [20:55:14]   done
+128: [20:55:14] -------------------------------------
+128: [20:55:14] Github #3723: Fingerprint crash for mols with Zero order bonds
+128: [20:55:14]   done
+195/235 Test #128: testFingerprints .......................   Passed    6.27 sec
+234: ..
+234: ----------------------------------------------------------------------
+234: Ran 2 tests in 0.002s
+234: 
+234: OK
+234: Testing ChemicalFeatures Wrapper code:
+231: [20:55:14] the useCache argument is deprecated and ignored
+211: .....[20:55:14] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+196/235 Test #234: pyFeatures .............................   Passed    0.32 sec
+150: ***********************************************************
+150: Testing O3AAlign
+150: 	---------------------------------
+150: 	 testMMFFO3A 
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A 
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with pre-computed dmat and MolHistogram
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with constraints
+150: 
+150: 	---------------------------------
+150: 	 testCrippenO3A with variable weight constraints followed by local-only optimization
+150: 
+150: 	---------------------------------
+150: 	 testMMFFO3A multithreading
+150: 
+150: generating reference data
+185: iterative
+197/235 Test #202: molStandardizeTest .....................   Passed    1.75 sec
+148: [20:55:14] Molecule does not have explicit Hs. Consider calling AddHs()
+228: .....
+228: ----------------------------------------------------------------------
+228: Ran 5 tests in 0.401s
+228: 
+228: OK
+171: Randomness seeded to: 520188573
+171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
+211: [20:55:14] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+198/235 Test #228: pyMatCalc ..............................   Passed    0.69 sec
+12: ..................
+12: ----------------------------------------------------------------------
+12: Ran 18 tests in 6.726s
+12: 
+12: OK
+212: Randomness seeded to: 3293281685
+212: ===============================================================================
+212: All tests passed (273 assertions in 19 test cases)
+212: 
+199/235 Test #212: testScaffoldNetwork ....................   Passed    1.47 sec
+232: ..[20:55:15] 
+232: 
+232: ****
+232: Invariant Violation
+232: Can't rank more bits than the ensemble size
+232: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp
+232: Failed Expression: num <= dp_maskBits->getNumOnBits()
+232: ----------
+232: Stacktrace:
+232:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+232:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
+232:  2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitInfoTheory.so.1
+232:  3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
+232:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
+232:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  6# 0x00007F373DDDF66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
+232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232: 13# 0x00007F373DDDC406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+232: 14# _PyObject_MakeTpCall in /usr/bin/python3
+232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 16# 0x00000000005BEE79 in /usr/bin/python3
+232: 17# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 18# 0x0000000000547080 in /usr/bin/python3
+232: 19# 0x00000000006AB720 in /usr/bin/python3
+232: 20# _PyObject_MakeTpCall in /usr/bin/python3
+232: 21# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 22# 0x00000000005BEE79 in /usr/bin/python3
+232: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 24# 0x0000000000547080 in /usr/bin/python3
+232: 25# 0x00000000006AB720 in /usr/bin/python3
+232: 26# _PyObject_MakeTpCall in /usr/bin/python3
+232: 27# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 28# 0x00000000005BEE79 in /usr/bin/python3
+232: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 30# 0x0000000000547080 in /usr/bin/python3
+232: 31# 0x00000000006AB720 in /usr/bin/python3
+232: 32# _PyObject_MakeTpCall in /usr/bin/python3
+232: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 34# 0x000000000059582E in /usr/bin/python3
+232: 35# _PyObject_MakeTpCall in /usr/bin/python3
+232: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
+232: 37# PyEval_EvalCode in /usr/bin/python3
+232: 38# 0x000000000066A861 in /usr/bin/python3
+232: 39# 0x000000000066670C in /usr/bin/python3
+232: 40# 0x000000000067F713 in /usr/bin/python3
+232: 41# 0x000000000067ECE3 in /usr/bin/python3
+232: 42# 0x000000000067EB1E in /usr/bin/python3
+232: 43# Py_RunMain in /usr/bin/python3
+232: 44# Py_BytesMain in /usr/bin/python3
+232: 45# 0x00007F373FBF0CA8 in /lib/x86_64-linux-gnu/libc.so.6
+232: 46# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
+232: 47# _start in /usr/bin/python3
+232: ----------
+232: ****
+232: 
+232: ...
+232: ----------------------------------------------------------------------
+232: Ran 5 tests in 0.028s
+232: 
+232: OK
 160: file AtropManyChiralsEnhanced.svg gave hash 3443464321U not the expected 2256768013U
-173: Randomness seeded to: 3180409307
-173: [12:07:19] Writing the enumerated file may take quite some time and result in a large file.
-154/235 Test #172: pyRascalMCES ...........................   Passed    6.06 sec
-163: [12:07:19] The provided InitialSeed is not an MCS and will be ignored
-test 174
-        Start 174: testCIPLabeler
-
-174: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/testCIPLabeler
-174: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler
-174: Test timeout computed to be: 1500
-174: Randomness seeded to: 2859760687
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-174: [12:07:19] non kekulizable aromatic bond being treated as bond order 1
-95: 0,0 0
-95: 0,1 0
-95: 1,0 0
-95: 1,1 0
-95: 2,0 0
-95: 2,1 0
-155/235 Test  #95: testEnumeration ........................   Passed   29.02 sec
-test 175
-        Start 175: pyCIPLabelsWrapTest
-
-175: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelWrapTest.py"
-175: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
-175: Test timeout computed to be: 1500
+200/235 Test  #12: pyBV ...................................   Passed    7.46 sec
+201/235 Test #232: pyRanker ...............................   Passed    0.50 sec
+231: ...[20:55:15] the useCache argument is deprecated and ignored
+231: [20:55:15] the useCache argument is deprecated and ignored
+231: .[20:55:15] the useCache argument is deprecated and ignored
+206: [20:55:15] Tautomer enumeration stopped at 292 tautomers: max transforms reached
+206: [20:55:15] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
+211: .Enumeration was canceled due to timeout (50 ms)
 160: file testGithub_7739_1.svg gave hash 3358510977U not the expected 2615562225U
 160: file testGithub_7739_3.svg gave hash 176211825U not the expected 1037942338U
-174: [12:07:20] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
-174: [12:07:20] Warning: conflicting stereochemistry - bond wedging contradiction - at atom 7 ignored
 160: file testGithub_7739_4.svg gave hash 3309264286U not the expected 3549083171U
-160: [12:07:20] 
+160: [20:55:15] 
 160: 
 160: ****
 160: Pre-condition Violation
@@ -30461,20 +32455,20 @@
 160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x000055BE539C8DA5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x000055BE53AAA8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x000055BE53AAB3E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x000055BE53AAB860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x000055BE53A7D403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x000055BE53A7D76C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x000055BE539C15DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007F59F9E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160:  8# 0x0000562A8ECD4DA5 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000562A8EDB68C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000562A8EDB73E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000562A8EDB7860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000562A8ED89403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000562A8ED8976C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000562A8ECCD5DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007FDC8D833CA8 in /lib/x86_64-linux-gnu/libc.so.6
 160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x000055BE539C1621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 17# 0x0000562A8ECCD621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: ----------
 160: ****
 160: 
-160: [12:07:20] 
+160: [20:55:15] 
 160: 
 160: ****
 160: Range Error
@@ -30491,30 +32485,20 @@
 160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x000055BE539C8512 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x000055BE53AAA8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x000055BE53AAB3E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x000055BE53AAB860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x000055BE53A7D403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x000055BE53A7D76C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x000055BE539C15DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007F59F9E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160:  8# 0x0000562A8ECD4512 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000562A8EDB68C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000562A8EDB73E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000562A8EDB7860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000562A8ED89403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000562A8ED8976C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000562A8ECCD5DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007FDC8D833CA8 in /lib/x86_64-linux-gnu/libc.so.6
 160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x000055BE539C1621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 17# 0x0000562A8ECCD621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: ----------
 160: ****
 160: 
-174: ===============================================================================
-174: All tests passed (6577 assertions in 19 test cases)
-174: 
-156/235 Test #174: testCIPLabeler .........................   Passed    0.78 sec
-test 176
-        Start 176: pyCIPLabelsValidation
-
-176: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/CIPLabeler/Wrap/pyCIPLabelsValidation.py"
-176: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/CIPLabeler/Wrap
-176: Test timeout computed to be: 1500
-160: [12:07:20] 
+160: [20:55:15] 
 160: 
 160: ****
 160: Range Error
@@ -30531,288 +32515,1268 @@
 160:  5# RDKit::MolDraw2D_detail::DrawMol::extractAll(double) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  6# RDKit::MolDraw2D_detail::DrawMol::createDrawObjects() in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
 160:  7# RDKit::MolDraw2D::drawMoleculeWithHighlights(RDKit::ROMol const&, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> >, std::less<int>, std::allocator<std::pair<int const, std::vector<RDKit::DrawColour, std::allocator<RDKit::DrawColour> > > > > const&, std::map<int, double, std::less<int>, std::allocator<std::pair<int const, double> > > const&, std::map<int, int, std::less<int>, std::allocator<std::pair<int const, int> > > const&, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitMolDraw2D.so.1
-160:  8# 0x000055BE539C8E78 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160:  9# 0x000055BE53AAA8C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 10# 0x000055BE53AAB3E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 11# 0x000055BE53AAB860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 12# 0x000055BE53A7D403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 13# 0x000055BE53A7D76C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 14# 0x000055BE539C15DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
-160: 15# 0x00007F59F9E30CA8 in /lib/x86_64-linux-gnu/libc.so.6
+160:  8# 0x0000562A8ECD4E78 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160:  9# 0x0000562A8EDB68C8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 10# 0x0000562A8EDB73E8 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 11# 0x0000562A8EDB7860 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 12# 0x0000562A8ED89403 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 13# 0x0000562A8ED8976C in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 14# 0x0000562A8ECCD5DE in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 15# 0x00007FDC8D833CA8 in /lib/x86_64-linux-gnu/libc.so.6
 160: 16# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-160: 17# 0x000055BE539C1621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
+160: 17# 0x0000562A8ECCD621 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolDraw2D/moldraw2DTestCatch
 160: ----------
 160: ****
 160: 
 160: file testSmallReactionCanvas.svg gave hash 3859901121U not the expected 2238356155U
-175: ....
-175: ----------------------------------------------------------------------
-175: Ran 4 tests in 0.060s
-175: 
-175: OK
-157/235 Test #175: pyCIPLabelsWrapTest ....................   Passed    1.14 sec
-test 177
-        Start 177: deprotectTest
-
-177: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/deprotectTest
-177: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect
-177: Test timeout computed to be: 1500
-170: Randomness seeded to: 611209062
-170: [12:07:21] Timed out after 11 seconds.
-177: Randomness seeded to: 3438543930
-177: ===============================================================================
-177: All tests passed (111 assertions in 3 test cases)
-177: 
-158/235 Test #177: deprotectTest ..........................   Passed    0.25 sec
-test 178
-        Start 178: pyDeprotect
-
-178: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Deprotect/Wrap/rough_test.py"
-178: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Deprotect/Wrap
-178: Test timeout computed to be: 1500
+206: [20:55:15] Tautomer enumeration stopped at 68 tautomers: canceled
+206: Enumeration was canceled due to timeout (50 ms)
+163: [20:55:15] The provided InitialSeed is not an MCS and will be ignored
 160: ===============================================================================
 160: All tests passed (6853 assertions in 115 test cases)
 160: 
-159/235 Test #160: moldraw2DTestCatch .....................   Passed   14.92 sec
-test 179
-        Start 179: testReducedGraphs
-
-179: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/testReducedGraphs
-179: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs
-179: Test timeout computed to be: 1500
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     1.3,     1.3,     0.6,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     1.3,     1.3,     0.6,       1,     0.6,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-179: Size: 315 [      0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,     0.3,       1,     0.3,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0,       0, ]
-179: 
-160/235 Test #179: testReducedGraphs ......................   Passed    0.13 sec
-test 180
-        Start 180: pyReducedGraphs
-
-180: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ReducedGraphs/Wrap/testReducedGraphs.py"
-180: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ReducedGraphs/Wrap
-180: Test timeout computed to be: 1500
-178: .....
-178: ----------------------------------------------------------------------
-178: Ran 5 tests in 0.138s
-178: 
-178: OK
-178: Testing tert-butyldimethylsilyl
-178: Testing methoxytrityl
-178: Testing tetrahydropyranyl
-178: Testing methoxymethyl_ether
-178: Testing beta-Methoxyethoxymethyl_ether
-178: Testing benzyl
-178: Testing trimethylsilyl
-178: Testing benzoyl
-178: Testing pivaloyl
-178: Testing triisopropylsilyl
-178: Testing acetyl
-178: Testing para-methoxybenzyl_ether
-178: Testing triphenylmethyl
-178: Testing phthaloyl
-178: Testing trimethylsilylethoxymethyl
-178: Testing para-methoxyphenyl
-178: Testing tosyl
-178: Testing tert-butyloxycarbonyl
-178: Testing trifluoroacetyl
-178: Testing benzoyl
-178: Testing 9-fluorenylmethyloxycarbonyl
-178: Testing benzylamine
-178: Testing acetamide
-178: Testing carbobenzyloxy
-178: Testing Acetal/Ketal
-178: Testing tert-butyldimethylsilyl
-178: Testing methoxytrityl
-178: Testing tetrahydropyranyl
-178: Testing methoxymethyl_ether
-178: Testing beta-Methoxyethoxymethyl_ether
-178: Testing benzyl
-178: Testing trimethylsilyl
-178: Testing benzoyl
-178: Testing pivaloyl
-178: Testing triisopropylsilyl
-178: Testing acetyl
-178: Testing para-methoxybenzyl_ether
-178: Testing triphenylmethyl
-178: Testing phthaloyl
-178: Testing trimethylsilylethoxymethyl
-178: Testing para-methoxyphenyl
-178: Testing tosyl
-178: Testing tert-butyloxycarbonyl
-178: Testing trifluoroacetyl
-178: Testing benzoyl
-178: Testing 9-fluorenylmethyloxycarbonyl
-178: Testing benzylamine
-178: Testing acetamide
-178: Testing carbobenzyloxy
-178: Testing Acetal/Ketal
-161/235 Test #178: pyDeprotect ............................   Passed    1.19 sec
-test 181
-        Start 181: trajectoryTest
-
-181: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory/trajectoryTest
-181: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Trajectory
-181: Test timeout computed to be: 1500
-180: .....
-180: ----------------------------------------------------------------------
-180: Ran 5 tests in 0.022s
-180: 
-180: OK
-162/235 Test #180: pyReducedGraphs ........................   Passed    1.01 sec
-test 182
-        Start 182: substructLibraryTest
-
-182: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryTest
-182: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
-182: Test timeout computed to be: 1500
-171: Randomness seeded to: 2504683777
-171: /build/reproducible-path/rdkit-202409.6/Code/GraphMol/RascalMCES/data/chembl_1907596.smi
+202/235 Test #160: moldraw2DTestCatch .....................   Passed    6.45 sec
+148: .[20:55:15] Molecule does not have explicit Hs. Consider calling AddHs()
+117: =>start test GETAWAY custom
+117: [20:55:16] test on : 365 molecules done
+203/235 Test #117: testRDFcustom ..........................   Passed    7.74 sec
+185: bulk
+164: ........................................[20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:16] The provided InitialSeed is not an MCS and will be ignored
+194: ....................[20:55:16] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:16] Explicit valence for atom # 6 F, 2, is greater than permitted
+194: [20:55:16] Can't kekulize mol.  Unkekulized atoms: 3 4 5
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: .[20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+164: [20:55:16] The provided InitialSeed is not an MCS and will be ignored
+206: 375
+206: Enumeration has completed
+164: .................
+164: ----------------------------------------------------------------------
+164: Ran 60 tests in 6.821s
+164: 
+164: OK
+204/235 Test #164: pyFMCS .................................   Passed    7.16 sec
+206: [20:55:16] Tautomer enumeration stopped at 63 tautomers: canceled
+235: ============================= test session starts ==============================
+235: platform linux -- Python 3.13.2, pytest-8.3.5, pluggy-1.5.0
+235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
+235: configfile: pytest.ini
+235: collected 12 items
+235: 
+194: .................[20:55:16] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+221: Randomness seeded to: 1613864644
+221: ===============================================================================
+221: All tests passed (203 assertions in 1 test case)
+221: 
+205/235 Test #221: testMolProcessing ......................   Passed    2.69 sec
 125: Warning: Atom Count for residue GLU5A does not match expected count
 125: Warning: Atom Count for residue ASN39A does not match expected count
-182: [12:07:23] -------------------------------------
-182: [12:07:23]     Test1
 125: Warning: Atom Count for residue GLU53A does not match expected count
 125: Warning: Atom Count for residue ARG64A does not match expected count
 125: Warning: Atom Count for residue LYS80A does not match expected count
 125: Warning: Atom Count for residue GLU150A does not match expected count
 125: Warning: Atom Count for residue ASN157A does not match expected count
-163/235 Test #181: trajectoryTest .........................   Passed    0.67 sec
-test 183
-        Start 183: substructLibraryCatchTest
-
-183: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/substructLibraryCatchTest
-183: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary
-183: Test timeout computed to be: 1500
+231: .......
+231: ----------------------------------------------------------------------
+231: Ran 11 tests in 1.923s
+231: 
+231: OK
+206/235 Test #231: pySimDivPickers ........................   Passed    2.30 sec
 125: ===============================================================================
 125: All tests passed (515 assertions in 10 test cases)
 125: 
-164/235 Test #125: descriptorsTestCatch ...................   Passed   27.31 sec
-test 184
-        Start 184: pySubstructLibrary
-
-184: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SubstructLibrary/Wrap/rough_test.py"
-184: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SubstructLibrary/Wrap
-184: Test timeout computed to be: 1500
-164: ........................................[12:07:23] The provided InitialSeed is not an MCS and will be ignored
-182: [12:07:24]   done
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-182: [12:07:24] -------------------------------------
-182: [12:07:24]     Test2
-164: .[12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: .[12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: .[12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: [12:07:24] The provided InitialSeed is not an MCS and will be ignored
-164: .................
-164: ----------------------------------------------------------------------
-164: Ran 60 tests in 15.000s
-164: 
-164: OK
-165/235 Test #164: pyFMCS .................................   Passed   16.10 sec
-test 185
-        Start 185: testRGroupDecomp
-
-185: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecomp
-185: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
-185: Test timeout computed to be: 1500
-182: [12:07:25]   done
-182: [12:07:25] -------------------------------------
-182: [12:07:25]     Test3 (stereo options)
-183: Randomness seeded to: 1923418346
-183: ===============================================================================
-183: All tests passed (171 assertions in 5 test cases)
-183: 
-166/235 Test #183: substructLibraryCatchTest ..............   Passed    2.33 sec
-test 186
-        Start 186: testRGroupDecompInternals
-
-186: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/testRGroupDecompInternals
-186: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
-186: Test timeout computed to be: 1500
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-186: [12:07:25] WARNING: not removing hydrogen atom with dummy atom neighbors
-167/235 Test #186: testRGroupDecompInternals ..............   Passed    0.13 sec
-test 187
-        Start 187: rgroupCatchTests
-
-187: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/rgroupCatchTests
-187: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition
-187: Test timeout computed to be: 1500
-182: [12:07:25]     Done (stereo options)
-182: [12:07:25] -------------------------------------
-182: [12:07:25]     Test4 (trusted smiles)
-182: [12:07:26]     Done (trusted smiles)
-182: [12:07:26] -------------------------------------
-182: [12:07:26]     Testing C++ docs
-182: [12:07:26]     Done (C++ doc tests)
-182: [12:07:26] -------------------------------------
-182: [12:07:26]     Testing C++ ring query: PatternHolder
-182: [12:07:26]     Done (C++ ring query tests)
-182: [12:07:26] -------------------------------------
-182: [12:07:26]     Testing C++ ring query: TautomerPatternHolder
-182: [12:07:26]     Done (C++ ring query tests)
-182: [12:07:26] -------------------------------------
-182: [12:07:26]    Add Patterns 
-187: Randomness seeded to: 1881000999
-187: ===============================================================================
-187: All tests passed (1475 assertions in 14 test cases)
-187: 
-168/235 Test #187: rgroupCatchTests .......................   Passed    0.87 sec
-test 188
-        Start 188: pyRGroupDecomposition
-
-188: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/RGroupDecomposition/Wrap/test_rgroups.py"
-188: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/RGroupDecomposition/Wrap
-188: Test timeout computed to be: 1500
-185: [12:07:27] Non terminal R group defined.  To allow set allowNonTerminalRGroups in RGroupDecompositionParameters
-185: [12:07:27] WARNING: not removing hydrogen atom with dummy atom neighbors
+207/235 Test #125: descriptorsTestCatch ...................   Passed    8.32 sec
+150: processing
+150:  launch :0
+150:  launch :1
+150:  launch :2
+150:  launch :3
+173: [20:55:17] Building the fingerprints may take some time.
+206: CN=c1cc[nH]cn1
+206: CN=c1ccnc[nH]1
+206: CNc1ccncn1
+206: res: CNc1ccncn1
+206: CN=c1cccc[nH]1
+206: CNc1ccccn1
+206: res: CNc1ccccn1
+146: processing
+146:  launch :0
+146:  launch :1
+146:  launch :2
+146:  launch :3
+208/235 Test #206: molTautomerTest ........................   Passed    4.26 sec
+211: Enumeration has completed
+211: [20:55:17] Tautomer enumeration stopped at 39 tautomers: canceled
+182: [20:55:17] -------------------------------------
+182: [20:55:17]    testing PatternHolder
+75: [20:55:18] Finished: testSmiCorrectness()
+75: [20:55:18] -----------------------------------------
+75: 
+75: [20:55:18] 
+75: -----------------------------------------
+75: [20:55:18] Spurious data before the first property will be ignored
+75: [20:55:18] Property <ID> will be truncated after the first blank line
+75: [20:55:18] Property <ID> will be truncated after the first blank line
+75: [20:55:18] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
+211: ..........[20:55:18] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [20:55:18] Explicit valence for atom # 1 N, 4, is greater than permitted
+211: [20:55:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+182: [20:55:18] -------------------------------------
+182: [20:55:18]    testing TautomerPatternHolder
+211: [20:55:18] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+126: Warning: Atom Count for residue GLU5A does not match expected count
+126: Warning: Atom Count for residue ASN39A does not match expected count
+126: Warning: Atom Count for residue GLU53A does not match expected count
+126: Warning: Atom Count for residue ARG64A does not match expected count
+126: Warning: Atom Count for residue LYS80A does not match expected count
+126: Warning: Atom Count for residue GLU150A does not match expected count
+126: Warning: Atom Count for residue ASN157A does not match expected count
+126: .[20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: .[20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: ..[20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...[20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+182: [20:55:18] -------------------------------------
+182: [20:55:18]    testSegFaultInHolder
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf[20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: syntax errorSMILESSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf[20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[20:55:18] [20:55:18] SMILES Parse Error: check for mistakes around position 1[20:55:18] ^
+182: :
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: dsafsdf'
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf[20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: 
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf
+182: [20:55:18] ^
+182: dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1[20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdfSMILES Parse Error: syntax error while parsing: dsafsdf
+182: syntax error: while parsing: 
+182: dsafsdf
+182: [20:55:18] [20:55:18] ^SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf[20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: dsafsdf
+182: 
+182: SMILES Parse Error:  while parsing: syntax error while parsing: dsafsdf
+182: 
+182: 
+182: [20:55:18] dsafsdf[20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: dsafsdf
+182: SMILES Parse Error: check for mistakes around position [20:55:18] Failed parsing SMILES 'dsafsdf'^
+182: SMILES Parse Error: check for mistakes around position 1[20:55:18] [20:55:18] 
+182: SMILES Parse Error: check for mistakes around position 1:^ for input: '1:dsafsdf':
+182: 
+182: 
+182: 
+182: [20:55:18] dsafsdf
+182: 
+182: [20:55:18] [20:55:18] [20:55:18] dsafsdf
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '^
+182: dsafsdf[20:55:18] [20:55:18] [20:55:18] 'dsafsdf
+182: 
+182: SMILES^ Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[20:55:18] 
+182: [20:55:18] dsafsdf[20:55:18] 
+182: [20:55:18] ^dsafsdf[20:55:18] SMILESSMILES^ Parse Error: 
+182: 
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: ''dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: [20:55:18] [20:55:18] Failed parsing SMILES 'dsafsdf' for input: '[20:55:18] SMILESdsafsdfSMILES Parse Error: '
+182:  Parse Error: [20:55:18] Failed parsing SMILES 'dsafsdf'syntax errorSMILES Parse Error: syntax error while parsing: dsafsdf while parsing:  for input: 'SMILES Parse Error: dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: dsafsdf
+182: syntax error while parsing: dsafsdf
+182: [20:55:18] [20:55:18] SMILES Parse Error: check for mistakes around position 1:[20:55:18] [20:55:18] SMILES Parse Error: check for mistakes around position 
+182: 1[20:55:18] :
+182: SMILES Parse Error: SMILES Parse Error: syntax errorFailed parsing SMILES 'dsafsdf' for input: 'dsafsdf[20:55:18] dsafsdf
+182: [20:55:18] [20:55:18]  while parsing: SMILES Parse Error: dsafsdf
+182: [20:55:18] dsafsdfsyntax error
+182:  while parsing: SMILES Parse Error: check for mistakes around position [20:55:18] ^dsafsdf'
+182: 
+182: ^1:
+182: 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] [20:55:18] dsafsdf
+182: 
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: [20:55:18] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[20:55:18] 
+182: SMILESSMILES Parse Error: Failed parsing SMILES 'dsafsdf'dsafsdf Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] ^
+182:  for input: 'dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILESSMILES Parse Error: check for mistakes around position 1: Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf[20:55:18] dsafsdf
+182: [20:55:18] 
+182: [20:55:18] [20:55:18] ^
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: SMILES Parse Error: check for mistakes around position [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: 1[20:55:18] dsafsdf
+182: [20:55:18] ^
+182: :
+182: [20:55:18] dsafsdf[20:55:18] [20:55:18] ^
+182: 
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'^
+182: 
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] [20:55:18] ^[20:55:18] [20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: SMILES Parse Error: syntax error while parsing: dsafsdfSMILES Parse Error: SMILES Parse Error: syntax error while parsing: [20:55:18] 
+182: SMILES Parse Error: syntax errorSMILES Parse Error: syntax errordsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1 while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1: while parsing: 
+182: dsafsdfsyntax errorsyntax error while parsing: dsafsdf
+182:  while parsing: dsafsdf[20:55:18] :
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1
+182: 
+182: :
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] [20:55:18] [20:55:18] [20:55:18] dsafsdfdsafsdf
+182: [20:55:18] [20:55:18] SMILES Parse Error: check for mistakes around position dsafsdf
+182: 
+182: [20:55:18] ^dsafsdf
+182: 1SMILES Parse Error: check for mistakes around position [20:55:18] 1:^
+182: [20:55:18] ^
+182: [20:55:18] ^
+182: :
+182: 
+182: [20:55:18] SMILES[20:55:18] dsafsdf
+182: [20:55:18]  Parse Error: 
+182: [20:55:18] [20:55:18] Failed parsing SMILES 'dsafsdf'SMILESSMILES[20:55:18]  Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' for input: 'dsafsdfdsafsdf'
+182: ^
+182: [20:55:18] ' Parse Error: 
+182: dsafsdf[20:55:18] 
+182: Failed parsing SMILES 'dsafsdf'SMILES for input: 'dsafsdf'[20:55:18] 
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf'^
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: ' for input: 'dsafsdf[20:55:18] SMILES Parse Error: syntax error[20:55:18] dsafsdfSMILES Parse Error: '
+182: '
+182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  while parsing: dsafsdf
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+126: [20:55:18] DEPRECATION WARNING: please use MorganGenerator
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[20:55:18] 
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] [20:55:18] ^
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1[20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: [20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: syntax error[20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^SMILES Parse Error: 
+182: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^[20:55:18] SMILES Parse Error: :
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: syntax error
+182:  while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] ^
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position SMILES Parse Error: [20:55:18] syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position dsafsdfdsafsdf
+182: [20:55:18] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error[20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 1:
+182:  while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] [20:55:18] [20:55:18] SMILES Parse Error: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: dsafsdf
+182: [20:55:18] [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^[20:55:18] [20:55:18] ^
+182: [20:55:18] [20:55:18] SMILES Parse Error: SMILES Parse Error: SMILES Parse Error: 
+182: :syntax error while parsing: [20:55:18] 
+182: SMILES Parse Error: check for mistakes around position  while parsing: dsafsdfSMILES Parse Error: syntax error[20:55:18]  while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: syntax error[20:55:18]  while parsing: 1SMILES Parse Error: check for mistakes around position :1:SMILES Parse Error: check for mistakes around position dsafsdfsyntax error
+182: 
+182: SMILESdsafsdfdsafsdf
+182: 
+182: syntax error[20:55:18] 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] 
+182: [20:55:18] SMILES Parse Error:  while parsing:  while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: ^[20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfdsafsdf[20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] dsafsdf
+182:  Parse Error: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfsyntax error
+182:  while parsing: '[20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: '
+182: 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: 1[20:55:18] ^Failed parsing SMILES 'dsafsdf'dsafsdf for input: 'dsafsdf:1[20:55:18] :
+182: [20:55:18] 
+182: 
+182: [20:55:18] SMILES Parse Error: check for mistakes around position [20:55:18] 1:
+182: dsafsdf
+182: dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] dsafsdf[20:55:18] 
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] [20:55:18] 
+182: [20:55:18] [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[20:55:18]  for input: 'dsafsdf'
+182: dsafsdf
+182: [20:55:18] ^
+182: SMILES Parse Error: syntax errorSMILES Parse Error:  while parsing: dsafsdf[20:55:18] 
+182: SMILES
+182:  Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: syntax errorSMILESSMILES Parse Error: check for mistakes around position  Parse Error: Failed parsing SMILES 'dsafsdf'[20:55:18] '^
+182: 1:
+182: SMILES Parse Error: check for mistakes around position [20:55:18] dsafsdf[20:55:18] [20:55:18] SMILESsyntax errorSMILES[20:55:18] [20:55:18] [20:55:18]  for input: 'SMILES Parse Error:  while parsing: [20:55:18] syntax error
+182:  while parsing: dsafsdf1 while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: [20:55:18] ^
+182: dsafsdf[20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf': Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: 
+182: SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  for input: 'dsafsdf'
+182:  Parse Error: Failed parsing SMILES 'dsafsdf''[20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] [20:55:18] SMILES Parse Error: ^
+182: 
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '
+182: [20:55:18] SMILES[20:55:18]  Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: check for mistakes around position 
+182: dsafsdf' for input: '
+182: dsafsdf'
+182: 1:[20:55:18] SMILES[20:55:18] 
+182: SMILES Parse Error: [20:55:18] Failed parsing SMILES 'dsafsdf' Parse Error:  for input: 'dsafsdf
+182: [20:55:18] Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'dsafsdf'^
+182: 
+182: syntax error[20:55:18] SMILES
+182:  Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182:  while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182:  for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+126: ....[20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+182: [20:55:18] SMILES Parse Error: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+182: [20:55:18] SMILES Parse Error: syntax error while parsing: dsafsdf
+182: [20:55:18] SMILES Parse Error: check for mistakes around position 1:
+182: [20:55:18] dsafsdf
+182: [20:55:18] ^
+182: [20:55:18] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
+126: ....[20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: [20:55:18] DEPRECATION WARNING: please use AtomPairGenerator
+126: .[20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ..[20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: .[20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: [20:55:18] DEPRECATION WARNING: please use TopologicalTorsionGenerator
+126: ...
+126: ----------------------------------------------------------------------
+126: Ran 31 tests in 9.623s
+126: 
+126: OK
+182: [20:55:18] -------------------------------------
+182: [20:55:18]    Results do not depend on numThreads 
+126: exactmw 78.046950192
+126: amw 78.11399999999999
+126: lipinskiHBA 0.0
+126: lipinskiHBD 0.0
+126: NumRotatableBonds 0.0
+126: NumHBD 0.0
+126: NumHBA 0.0
+126: NumHeavyAtoms 6.0
+126: NumAtoms 12.0
+126: NumHeteroatoms 0.0
+126: NumAmideBonds 0.0
+126: FractionCSP3 0.0
+126: NumRings 1.0
+126: NumAromaticRings 1.0
+126: NumAliphaticRings 0.0
+126: NumSaturatedRings 0.0
+126: NumHeterocycles 0.0
+126: NumAromaticHeterocycles 0.0
+126: NumSaturatedHeterocycles 0.0
+126: NumAliphaticHeterocycles 0.0
+126: NumSpiroAtoms 0.0
+126: NumBridgeheadAtoms 0.0
+126: NumAtomStereoCenters 0.0
+126: NumUnspecifiedAtomStereoCenters 0.0
+126: labuteASA 37.43140311949697
+126: tpsa 0.0
+126: CrippenClogP 1.6866
+126: CrippenMR 26.441999999999993
+126: chi0v 3.464101615137755
+126: chi1v 2.0000000000000004
+126: chi2v 0.6666666666666671
+126: chi3v 0.6666666666666671
+126: chi4v 0.38490017945975075
+126: chi0n 3.464101615137755
+126: chi1n 2.0000000000000004
+126: chi2n 0.6666666666666671
+126: chi3n 0.6666666666666671
+126: chi4n 0.38490017945975075
+126: hallKierAlpha -0.78
+126: kappa1 3.4115708812260532
+126: kappa2 1.6057694396735218
+126: kappa3 0.5823992601400448
+126: Phi 0.9130327103921437
+126: CustomNumAtoms 6.0
+126: exactmw 78.046950192
+126: lipinskiHBA 0.0
+75: [20:55:18] Finished: testSDCorrectness()
+75: [20:55:18] -----------------------------------------
+75: 
+209/235 Test  #75: testMultithreadedMolSupplier ...........   Passed   10.60 sec
+210/235 Test #126: pyMolDescriptors .......................   Passed   10.05 sec
+185: bulk, no symmetry
+211/235 Test #198: pyTestThreads ..........................   Passed    6.44 sec
+211: ............[20:55:19] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
+211: [20:55:19] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+211: [20:55:19] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
+185: [20:55:19] Relabelling existing label
+211: ........[20:55:19] Explicit valence for atom # 1 O, 3, is greater than permitted
+170: Randomness seeded to: 4132547023
+170: [20:55:20] Timed out after 11 seconds.
+185: Best mapping
+211: ..
+211: ----------------------------------------------------------------------
+211: Ran 38 tests in 6.869s
+211: 
+211: OK
+211: done
+212/235 Test #211: pyMolStandardize .......................   Passed    7.58 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
 159:  Done
 159:  ----------------- Test Github #781: Rendering single-atom molecules
 159:  Done
 159:  ----------------- Test 3
 159: file test3_1.png gave hash 4245589364U not the expected 675908852U
+213/235 Test #185: testRGroupDecomp .......................   Passed   10.71 sec
 159: file test3_2.png gave hash 3367333300U not the expected 2452584093U
 159: file test3_3.png gave hash 2996581333U not the expected 1907006999U
 159: file test3_4.png gave hash 3977004105U not the expected 2305641511U
 159: file test3_5.png gave hash 3967750587U not the expected 3842605920U
+29: All 191 tests passed
 159: file test3_6.png gave hash 691593501U not the expected 662622011U
 159: file test3_7.png gave hash 1614455692U not the expected 469729412U
 159:  Done
@@ -30854,6 +33818,8 @@
 159:  Done
 159:  ----------------- Testing drawMolecules
 159: file test12_1.svg gave hash 76786371U not the expected 826649652U
+29: 
+29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
 159:  Done
 159:  ----------------- Test JSON Configuration
 159:  Done
@@ -30892,12 +33858,18 @@
 159: file testGithub2931_3.svg gave hash 1986517899U not the expected 2885834646U
 159:  Done
 159:  ----------------- Testing annotation of 2D Drawing.
+81: ===============================================================================
+81: All tests passed (1601 assertions in 100 test cases)
+81: 
+214/235 Test  #81: fileParsersCatchTest ...................   Passed   13.52 sec
 159: file test20_1.png gave hash 1526801019U not the expected 200877868U
 159: file test20_2.png gave hash 1568015929U not the expected 1651164846U
 159: file test20_3.png gave hash 2265759724U not the expected 1463603076U
 159: file test20_4.png gave hash 960727959U not the expected 1714613205U
 159:  Done
 159:  ----------------- Test 21 - different font
+159: [20:55:21] Font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/No_Such_Font_File.ttf not found.
+159: [20:55:21] Falling back to original font file /build/reproducible-path/rdkit-202409.6/Data/Fonts/Telex-Regular.ttf.
 159: Done
 159:  ----------------- Test 22 - draw explicit methyls.
 159: Done
@@ -30905,67 +33877,9 @@
 159:  Done
 159:  ----------------- Test Github 3305 - change and scale line widths.
 159: file testGithub3305_1.png gave hash 4250074512U not the expected 3303791649U
-81: ===============================================================================
-81: All tests passed (1601 assertions in 100 test cases)
-81: 
-169/235 Test  #81: fileParsersCatchTest ...................   Passed   41.79 sec
-test 189
-        Start 189: molInterchangeTest1
-
-189: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeTest1
-189: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
-189: Test timeout computed to be: 1500
 159: file testGithub3305_2.png gave hash 2438913291U not the expected 4003267433U
-189: [12:07:31] test1: basics
-189: [12:07:31] done
-189: [12:07:31] test2: basic writing
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"mol1 name","atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"z":9},{"stereo":"cw"},{"z":17},{"z":8,"impHs":1},{"impHs":3}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[1,4]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[3,1,4,2,0],"cipCodes":[[1,"S"]]}]}]}
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1},{"impHs":1}],"bonds":[{"bo":2,"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"bo":2,"atoms":[4,5]},{"atoms":[5,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[0,1,2,3,4,5],"aromaticBonds":[0,1,2,3,4,5],"cipRanks":[0,0,0,0,0,0],"atomRings":[[0,5,4,3,2,1]]}]}]}
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":3},{"impHs":2},{},{},{"z":7,"impHs":2},{"impHs":1},{},{"impHs":3},{"z":7},{"impHs":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"bo":2,"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[3,5]},{"bo":2,"atoms":[5,6]},{"atoms":[6,7]},{"atoms":[6,8]},{"bo":2,"atoms":[8,9]},{"atoms":[9,2]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","aromaticAtoms":[2,3,5,6,8,9],"aromaticBonds":[2,4,5,7,8,9],"cipRanks":[0,2,4,5,8,3,7,1,9,6],"atomRings":[[2,9,8,6,5,3]]}]}]}
-189: [12:07:31] done
-189: [12:07:31] test3: writing conformers
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"example 2","atoms":[{"z":8},{"stereo":"cw"},{"z":17,"isotope":35},{"z":9},{"z":1},{"z":1}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[1,3]},{"atoms":[0,4]},{"atoms":[1,5]}],"conformers":[{"dim":2,"coords":[[-1.1988,-0.0452],[-0.3332,0.4556],[0.166,1.322],[0.5332,-0.0438],[-2.0652,0.4542],[-0.834,1.3212]]},{"dim":3,"coords":[[0.9554,-0.3743,-0.4679],[-0.3616,-0.1311,-0.0795],[-0.5097,1.6256,0.1706],[-0.5779,-0.792,1.1042],[1.5277,0.1064,0.1628],[-1.0339,-0.4346,-0.8902]]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipCodes":[[1,"S"]]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[-0.352,0.273,-0.055,-0.198,0.215,0.117]}]}]}
-189: [12:07:31] done
-189: [12:07:31] test4: writing properties
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"impHs":3}],"bonds":[{"atoms":[0,1]}],"properties":{"foo_string":"bar","foo_int":1,"foo_double":1.2},"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,0]}]}]}
-189: [12:07:31] done
-189: [12:07:31] test5: writing partial charges
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"atoms":[{"impHs":3},{"z":8,"impHs":1}],"bonds":[{"atoms":[0,1]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[0,1]},{"name":"partialCharges","generator":"RDKit","formatVersion":10,"generatorVersion":"2024.09.6","values":[0.5,-0.5]}]}]}
-189: [12:07:31] testing parse options
-189: [12:07:31] done
-189: [12:07:31] testing github #2046: CIPRank values from JSONDataToMols are not unsigned
-189: {"rdkitjson":{"version":11},"defaults":{"atom":{"z":6,"impHs":0,"chg":0,"nRad":0,"isotope":0,"stereo":"unspecified"},"bond":{"bo":1,"stereo":"unspecified"}},"molecules":[{"name":"test mol","atoms":[{"impHs":2},{"impHs":2},{"impHs":2},{"z":8},{"impHs":1,"stereo":"cw"},{"z":9}],"bonds":[{"atoms":[0,1]},{"atoms":[1,2]},{"atoms":[2,3]},{"atoms":[3,4]},{"atoms":[4,5]},{"atoms":[4,0]}],"extensions":[{"name":"rdkitRepresentation","formatVersion":2,"toolkitVersion":"2024.09.6","cipRanks":[1,0,2,4,3,5],"cipCodes":[[4,"S"]],"atomRings":[[0,1,2,3,4]]}]}]}
-189: [12:07:31] done
-189: [12:07:31] testing 'either' stereochemistry
-189: [12:07:31] done
-170/235 Test #189: molInterchangeTest1 ....................   Passed    0.11 sec
-test 190
-        Start 190: molInterchangeCatchTest
-
-190: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/molInterchangeCatchTest
-190: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange
-190: Test timeout computed to be: 1500
 159: file testGithub3305_3.png gave hash 1680056767U not the expected 273338209U
 159: file testGithub3305_4.png gave hash 3967750587U not the expected 3842605920U
-190: Randomness seeded to: 1994638736
-190: [12:07:31]  unrecognized bond type 12 set to zero while writing
-190: [12:07:31]  unrecognized bond type 0 set to zero while writing
-190: ===============================================================================
-190: All tests passed (125 assertions in 7 test cases)
-190: 
-171/235 Test #190: molInterchangeCatchTest ................   Passed    0.13 sec
-test 191
-        Start 191: pyMolInterchange
-
-191: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInterchange/Wrap/testMolInterchange.py"
-191: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInterchange/Wrap
-191: Test timeout computed to be: 1500
-188: ....................
-188: ----------------------------------------------------------------------
-188: Ran 20 tests in 4.712s
-188: 
-188: OK
 159: file testGithub3305_5.png gave hash 2464937348U not the expected 151279576U
 159: file testGithub3305_5.svg gave hash 3310590632U not the expected 1335449325U
 159: file testGithub3305_6.png gave hash 1984494277U not the expected 613418460U
@@ -30981,2265 +33895,7 @@
 159:  Done
 159:  ----------------- Test AND queries
 159:  Done
-172/235 Test #159: moldraw2DTest1 .........................   Passed   26.08 sec
-test 192
-        Start 192: testSLNParse
-
-192: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/testSLNParse
-192: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse
-192: Test timeout computed to be: 1500
-173/235 Test #188: pyRGroupDecomposition ..................   Passed    5.65 sec
-test 193
-        Start 193: pySLNParse
-
-193: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/SLNParse/Wrap/testSLN.py"
-193: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/SLNParse/Wrap
-193: Test timeout computed to be: 1500
-192: Atoms:
-192: 	0 6 C chg: 1  deg: 5 exp: N/A imp: 0 hyb: 
-192: 	1 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-192: 	2 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-192: 	3 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-192: 	4 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-192: 	5 1 H chg: 0  deg: 1 exp: N/A imp: N/A hyb: 
-192: Bonds:
-192: 	0 0->1 order: 1
-192: 	1 0->2 order: 1
-192: 	2 0->3 order: 1
-192: 	3 0->4 order: 1
-192: 	4 0->5 order: 1
-192: [12:07:32] SLN Parse Error: syntax error while parsing: CH4[I=13]
-192: [12:07:32] Failed parsing SLN 'CH4[I=13]'
-192: [12:07:32] SLN Parser error: Atom ID 1 appears *after* its ring closure.
-192: [12:07:32] SLN Parser error: Ring closure 1 does not have a corresponding opener.
-192: [12:07:32] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2)
-192: [12:07:32] Failed parsing SLN 'CH2(C@1H2)CH2(CH2CH2C[1]H2)'
-192: [12:07:32] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1)
-192: [12:07:32] Failed parsing SLN 'CH2(CH2[1])CH2(CH2CH2CH2@1)'
-192: [12:07:32] SLN Parse Error: syntax error while parsing: CH4	fff
-192: [12:07:32] Failed parsing SLN 'CH4	fff'
-192: [12:07:32] SLN Parse Error: syntax error while parsing: C[charge=+1] 	foo
-192: [12:07:32] Failed parsing SLN 'C[charge=+1] 	foo'
-192: [12:07:32] Query property 'is' ignored on non-query atom
-192: [12:07:32] Query property 'is' ignored on non-query atom
-174/235 Test #192: testSLNParse ...........................   Passed    0.14 sec
-test 194
-        Start 194: pyGraphMolWrap
-
-194: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/rough_test.py"
-194: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-194: Test timeout computed to be: 1500
-173: [12:07:32] Building the fingerprints may take some time.
-191: ..
-191: ----------------------------------------------------------------------
-191: Ran 2 tests in 0.030s
-191: 
-191: OK
-175/235 Test #191: pyMolInterchange .......................   Passed    0.71 sec
-test 195
-        Start 195: pyTestConformerWrap
-
-195: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testConformer.py"
-195: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-195: Test timeout computed to be: 1500
-193: ..
-193: ----------------------------------------------------------------------
-193: Ran 2 tests in 0.038s
-193: 
-193: OK
-176/235 Test #193: pySLNParse .............................   Passed    1.03 sec
-test 196
-        Start 196: pyTestTrajectory
-
-196: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testTrajectory.py"
-196: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-196: Test timeout computed to be: 1500
-195: ......
-195: ----------------------------------------------------------------------
-195: Ran 6 tests in 0.023s
-195: 
-195: OK
-177/235 Test #195: pyTestConformerWrap ....................   Passed    0.89 sec
-test 197
-        Start 197: pyTestSGroups
-
-197: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testSGroups.py"
-197: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-197: Test timeout computed to be: 1500
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-196: [12:07:34] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: from must be < size()
-196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: from < static_cast<int>(size())
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .[12:07:34] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: from must be < size()
-196: Violation occurred on line 91 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: from < static_cast<int>(size())
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Trajectory::addConformersToMol(RDKit::ROMol&, int, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::Trajectory::*)(RDKit::ROMol&, int, int), boost::python::default_call_policies, boost::mpl::vector5<unsigned int, RDKit::Trajectory&, RDKit::ROMol&, int, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-194: ..............[12:07:34] SMARTS Parse Error: syntax error while parsing: fiib
-194: [12:07:34] SMARTS Parse Error: Failed parsing SMARTS 'fiib' for input: 'fiib'
-194: ....[12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] Spurious data before the first property will be ignored
-194: [12:07:34] Property <ID> will be truncated after the first blank line
-194: [12:07:34] Property <ID> will be truncated after the first blank line
-194: [12:07:34] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] Spurious data before the first property will be ignored
-194: [12:07:34] Property <ID> will be truncated after the first blank line
-194: [12:07:34] Property <ID> will be truncated after the first blank line
-194: [12:07:34] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: [12:07:34] ERROR: Problems encountered parsing data fields
-194: [12:07:34] ERROR: moving to the beginning of the next molecule
-194: [12:07:34] Property <ANOTHER_PROPERTY> will be truncated after the first blank line
-194: .[12:07:34] SMILES Parse Error: syntax error while parsing: fail
-194: [12:07:34] SMILES Parse Error: check for mistakes around position 1:
-194: [12:07:34] fail
-194: [12:07:34] ^
-194: [12:07:34] SMILES Parse Error: Failed parsing SMILES 'fail' for input: 'fail'
-194: [12:07:34] ERROR: Smiles parse error on line 2
-194: [12:07:34] ERROR: Cannot create molecule from : 'fail'
-194: >>> This may result in an infinite loop.  It should finish almost instantly
-194: <<< OK, it finished.
-194: ............[12:07:34] Explicit valence for atom # 1 C, 5, is greater than permitted
-197: .............
-197: ----------------------------------------------------------------------
-197: Ran 13 tests in 0.073s
-197: 
-197: OK
-197: Testing SubstanceGroups wrapper
-194: ......[12:07:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [12:07:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [12:07:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: [12:07:34] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-194: .inWedges:  [H]C12C3([H])C4([H])C1([H])C1([H])C2([H])C3([H])C41[H] |(-0.612,-0.6446,0.635;0.0021,-0.0041,0.002;-0.0187,1.5258,0.0104;-0.6498,2.1424,0.6504;1.5111,1.5466,-0.0041;2.1372,2.1804,0.624;1.5319,0.0168,-0.0125;2.175,-0.6067,0.6086;1.5173,0.025,-1.5424;2.1484,-0.5936,-2.1805;-0.0125,0.0041,-1.5279;-0.6405,-0.6297,-2.154;-0.0333,1.534,-1.5195;-0.6783,2.1574,-2.1387;1.4965,1.5548,-1.534;2.1106,2.1972,-2.1651)|
-194: ........[12:07:34] non-ring atom 0 marked aromatic
-194: [12:07:34] non-ring atom 0 marked aromatic
-194: [12:07:34] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x00007F3001483170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-194: [12:07:34] non-ring atom 0 marked aromatic
-194: [12:07:34] non-ring atom 0 marked aromatic
-194: [12:07:34] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 12 < 6
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# 0x00007F3001483170 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-178/235 Test #197: pyTestSGroups ..........................   Passed    1.44 sec
-test 198
-        Start 198: pyTestThreads
-
-198: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testThreads.py"
-198: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-198: Test timeout computed to be: 1500
-194: ...............[12:07:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-194: [12:07:35] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count.
-29: All 191 tests passed
-194: ..............[12:07:35] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: [12:07:35] Explicit valence for atom # 1 C, 5, is greater than permitted
-182: [12:07:35] -------------------------------------
-182: [12:07:35]    testing PatternHolder
-196: .[12:07:35] 
-196: 
-196: ****
-196: Range Error
-196: snapshotNum
-196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: 0 < 0
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 23# _PyObject_MakeTpCall in /usr/bin/python3
-196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 25# 0x00000000005BEE79 in /usr/bin/python3
-196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 27# 0x0000000000547080 in /usr/bin/python3
-196: 28# 0x00000000006AB720 in /usr/bin/python3
-196: 29# _PyObject_MakeTpCall in /usr/bin/python3
-196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 31# 0x00000000005BEE79 in /usr/bin/python3
-196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 33# 0x0000000000547080 in /usr/bin/python3
-196: 34# 0x00000000006AB720 in /usr/bin/python3
-196: 35# _PyObject_MakeTpCall in /usr/bin/python3
-196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 37# 0x00000000005BEE79 in /usr/bin/python3
-196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 39# 0x0000000000547080 in /usr/bin/python3
-196: 40# 0x00000000006AB720 in /usr/bin/python3
-196: 41# _PyObject_MakeTpCall in /usr/bin/python3
-196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 43# 0x000000000059582E in /usr/bin/python3
-196: 44# _PyObject_MakeTpCall in /usr/bin/python3
-196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 46# PyEval_EvalCode in /usr/bin/python3
-196: 47# 0x000000000066A861 in /usr/bin/python3
-196: 48# 0x000000000066670C in /usr/bin/python3
-196: 49# 0x000000000067F713 in /usr/bin/python3
-196: 50# 0x000000000067ECE3 in /usr/bin/python3
-196: 51# 0x000000000067EB1E in /usr/bin/python3
-196: 52# Py_RunMain in /usr/bin/python3
-196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 56# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .[12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: The trajectory must have dimension == 3
-196: Violation occurred on line 113 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: traj.dimension() == 3
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::readAmberTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: ..[12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: The trajectory must have dimension == 3
-196: Violation occurred on line 154 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: traj.dimension() == 3
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::readGromosTrajectory(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (*)(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&), boost::python::default_call_policies, boost::mpl::vector3<unsigned int, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, RDKit::Trajectory&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .[12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: d_pos must not be NULL
-196: Violation occurred on line 23 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: d_pos
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: [12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: d_trajectory must not be NULL
-196: Violation occurred on line 24 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: d_trajectory
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .[12:07:35] 
-196: 
-196: ****
-196: Range Error
-196: snapshotNum
-196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: 5 < 5
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 23# _PyObject_MakeTpCall in /usr/bin/python3
-196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 25# 0x00000000005BEE79 in /usr/bin/python3
-196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 27# 0x0000000000547080 in /usr/bin/python3
-196: 28# 0x00000000006AB720 in /usr/bin/python3
-196: 29# _PyObject_MakeTpCall in /usr/bin/python3
-196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 31# 0x00000000005BEE79 in /usr/bin/python3
-196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 33# 0x0000000000547080 in /usr/bin/python3
-196: 34# 0x00000000006AB720 in /usr/bin/python3
-196: 35# _PyObject_MakeTpCall in /usr/bin/python3
-196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 37# 0x00000000005BEE79 in /usr/bin/python3
-196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 39# 0x0000000000547080 in /usr/bin/python3
-196: 40# 0x00000000006AB720 in /usr/bin/python3
-196: 41# _PyObject_MakeTpCall in /usr/bin/python3
-196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 43# 0x000000000059582E in /usr/bin/python3
-196: 44# _PyObject_MakeTpCall in /usr/bin/python3
-196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 46# PyEval_EvalCode in /usr/bin/python3
-196: 47# 0x000000000066A861 in /usr/bin/python3
-196: 48# 0x000000000066670C in /usr/bin/python3
-196: 49# 0x000000000067F713 in /usr/bin/python3
-196: 50# 0x000000000067ECE3 in /usr/bin/python3
-196: 51# 0x000000000067EB1E in /usr/bin/python3
-196: 52# Py_RunMain in /usr/bin/python3
-196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 56# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: [12:07:35] 
-196: 
-196: ****
-196: Range Error
-196: pointNum
-196: Violation occurred on line 27 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: 10 < 10
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .[12:07:35] 
-196: 
-196: ****
-196: Range Error
-196: snapshotNum
-196: Violation occurred on line 71 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: 5 < 5
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Trajectory::getSnapshot(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# RDKit::getSnapshot_wrap(RDKit::Trajectory*, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Snapshot* (*)(RDKit::Trajectory*, unsigned int), boost::python::return_value_policy<boost::python::manage_new_object, boost::python::default_call_policies>, boost::mpl::vector3<RDKit::Snapshot*, RDKit::Trajectory*, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 21# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 23# _PyObject_MakeTpCall in /usr/bin/python3
-196: 24# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 25# 0x00000000005BEE79 in /usr/bin/python3
-196: 26# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 27# 0x0000000000547080 in /usr/bin/python3
-196: 28# 0x00000000006AB720 in /usr/bin/python3
-196: 29# _PyObject_MakeTpCall in /usr/bin/python3
-196: 30# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 31# 0x00000000005BEE79 in /usr/bin/python3
-196: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 33# 0x0000000000547080 in /usr/bin/python3
-196: 34# 0x00000000006AB720 in /usr/bin/python3
-196: 35# _PyObject_MakeTpCall in /usr/bin/python3
-196: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 37# 0x00000000005BEE79 in /usr/bin/python3
-196: 38# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 39# 0x0000000000547080 in /usr/bin/python3
-196: 40# 0x00000000006AB720 in /usr/bin/python3
-196: 41# _PyObject_MakeTpCall in /usr/bin/python3
-196: 42# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 43# 0x000000000059582E in /usr/bin/python3
-196: 44# _PyObject_MakeTpCall in /usr/bin/python3
-196: 45# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 46# PyEval_EvalCode in /usr/bin/python3
-196: 47# 0x000000000066A861 in /usr/bin/python3
-196: 48# 0x000000000066670C in /usr/bin/python3
-196: 49# 0x000000000067F713 in /usr/bin/python3
-196: 50# 0x000000000067ECE3 in /usr/bin/python3
-196: 51# 0x000000000067EB1E in /usr/bin/python3
-196: 52# Py_RunMain in /usr/bin/python3
-196: 53# Py_BytesMain in /usr/bin/python3
-196: 54# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 56# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: [12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: d_dimension must be == 2
-196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: d_trajectory->dimension() == 2
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: [12:07:35] 
-196: 
-196: ****
-196: Pre-condition Violation
-196: d_dimension must be == 2
-196: Violation occurred on line 25 in file ./Code/GraphMol/Trajectory/Trajectory.cpp
-196: Failed Expression: d_trajectory->dimension() == 2
-196: ----------
-196: Stacktrace:
-196:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-196:  2# RDKit::Snapshot::getPoint2D(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitTrajectory.so.1
-196:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDGeom::Point2D (RDKit::Snapshot::*)(unsigned int) const, boost::python::default_call_policies, boost::mpl::vector3<RDGeom::Point2D, RDKit::Snapshot&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdtrajectory.so
-196:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  5# 0x00007F34B0CC266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-196:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-196: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 11# 0x00007F34AE7B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 12# 0x00007F34AE7B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 13# 0x00007F34AE7B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 14# 0x00007F34AE7B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 15# 0x00007F34AE7B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-196: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-196: 20# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 21# 0x00007F34B0CBF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-196: 22# _PyObject_MakeTpCall in /usr/bin/python3
-196: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 24# 0x00000000005BEE79 in /usr/bin/python3
-196: 25# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 26# 0x0000000000547080 in /usr/bin/python3
-196: 27# 0x00000000006AB720 in /usr/bin/python3
-196: 28# _PyObject_MakeTpCall in /usr/bin/python3
-196: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 30# 0x00000000005BEE79 in /usr/bin/python3
-196: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 32# 0x0000000000547080 in /usr/bin/python3
-196: 33# 0x00000000006AB720 in /usr/bin/python3
-196: 34# _PyObject_MakeTpCall in /usr/bin/python3
-196: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 36# 0x00000000005BEE79 in /usr/bin/python3
-196: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 38# 0x0000000000547080 in /usr/bin/python3
-196: 39# 0x00000000006AB720 in /usr/bin/python3
-196: 40# _PyObject_MakeTpCall in /usr/bin/python3
-196: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 42# 0x000000000059582E in /usr/bin/python3
-196: 43# _PyObject_MakeTpCall in /usr/bin/python3
-196: 44# _PyEval_EvalFrameDefault in /usr/bin/python3
-196: 45# PyEval_EvalCode in /usr/bin/python3
-196: 46# 0x000000000066A861 in /usr/bin/python3
-196: 47# 0x000000000066670C in /usr/bin/python3
-196: 48# 0x000000000067F713 in /usr/bin/python3
-196: 49# 0x000000000067ECE3 in /usr/bin/python3
-196: 50# 0x000000000067EB1E in /usr/bin/python3
-196: 51# Py_RunMain in /usr/bin/python3
-196: 52# Py_BytesMain in /usr/bin/python3
-196: 53# 0x00007F34B1478CA8 in /lib/x86_64-linux-gnu/libc.so.6
-196: 54# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-196: 55# _start in /usr/bin/python3
-196: ----------
-196: ****
-196: 
-196: .
-196: ----------------------------------------------------------------------
-196: Ran 9 tests in 1.102s
-196: 
-196: OK
-196: Testing Trajectory wrapper
-179/235 Test #196: pyTestTrajectory .......................   Passed    2.37 sec
-test 199
-        Start 199: pyTestMultithreadedMolSupplier
-
-199: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testMultithreadedMolSupplier.py"
-199: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-199: Test timeout computed to be: 1500
-29: 
-29: Computing MMFF94 energies for /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi...
-182: [12:07:36] -------------------------------------
-182: [12:07:36]    testing TautomerPatternHolder
-194: ............................[12:07:36]  unable to set wavy bonds for double bonds: 3
-194: .............[12:07:36] 
-194: 
-194: ****
-194: Range Error
-194: idx
-194: Violation occurred on line 209 in file ./Code/GraphMol/ROMol.cpp
-194: Failed Expression: 6 < 5
-194: ----------
-194: Stacktrace:
-194:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  3# RDKit::RWMol::removeAtom(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-194:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<void (RDKit::ReadWriteMol::*)(unsigned int), boost::python::default_call_policies, boost::mpl::vector3<void, RDKit::ReadWriteMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  6# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
-194:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionParserException, void (*)(RDKit::ChemicalReactionParserException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionParserException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
-194: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FeatureFileParseException, void (*)(RDKit::FeatureFileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FeatureFileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdMolChemicalFeatures.so
-194: 12# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDDepict::DepictException, void (*)(RDDepict::DepictException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDDepict::DepictException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdDepictor.so
-194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
-194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
-194: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 21# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-194: 26# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 27# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 28# _PyObject_MakeTpCall in /usr/bin/python3
-194: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 30# 0x00000000005BEE79 in /usr/bin/python3
-194: 31# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 32# 0x0000000000547080 in /usr/bin/python3
-194: 33# 0x00000000006AB720 in /usr/bin/python3
-194: 34# _PyObject_MakeTpCall in /usr/bin/python3
-194: 35# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 36# 0x00000000005BEE79 in /usr/bin/python3
-194: 37# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 38# 0x0000000000547080 in /usr/bin/python3
-194: 39# 0x00000000006AB720 in /usr/bin/python3
-194: 40# _PyObject_MakeTpCall in /usr/bin/python3
-194: 41# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 42# 0x00000000005BEE79 in /usr/bin/python3
-194: 43# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 44# 0x0000000000547080 in /usr/bin/python3
-194: 45# 0x00000000006AB720 in /usr/bin/python3
-194: 46# _PyObject_MakeTpCall in /usr/bin/python3
-194: 47# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 48# 0x000000000059582E in /usr/bin/python3
-194: 49# _PyObject_MakeTpCall in /usr/bin/python3
-194: 50# _PyEval_EvalFrameDefault in /usr/bin/python3
-194: 51# PyEval_EvalCode in /usr/bin/python3
-194: 52# 0x000000000066A861 in /usr/bin/python3
-194: 53# 0x000000000066670C in /usr/bin/python3
-194: 54# 0x000000000067F713 in /usr/bin/python3
-194: 55# 0x000000000067ECE3 in /usr/bin/python3
-194: 56# 0x000000000067EB1E in /usr/bin/python3
-194: 57# Py_RunMain in /usr/bin/python3
-194: 58# Py_BytesMain in /usr/bin/python3
-194: 59# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
-194: 60# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-194: 61# _start in /usr/bin/python3
-194: ----------
-194: ****
-194: 
-182: [12:07:36] -------------------------------------
-182: [12:07:36]    testSegFaultInHolder
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: [12:07:36] [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] [12:07:36] [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:SMILES Parse Error: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  for input: 'dsafsdf'
-182: [12:07:36] [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: dsafsdf'
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES^
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'[12:07:36]  Parse Error: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf[12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: '
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error[12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: 
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: '[12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1[12:07:36] dsafsdfSMILES Parse Error: syntax error while parsing: dsafsdf
-182: '[12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: :
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf'[12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: syntax error while parsing: dsafsdf
-182: [12:07:36] [12:07:36] 
-182: SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdfSMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: [12:07:36] dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182:  for input: '[12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: '
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-182: [12:07:36] SMILES Parse Error: syntax error while parsing: dsafsdf
-182: [12:07:36] SMILES Parse Error: check for mistakes around position 1:
-182: [12:07:36] dsafsdf
-182: [12:07:36] ^
-182: [12:07:36] SMILES Parse Error: Failed parsing SMILES 'dsafsdf' for input: 'dsafsdf'
-199: .s.
-199: ----------------------------------------------------------------------
-199: Ran 3 tests in 0.473s
-199: 
-199: OK (skipped=1)
-199: Testing Smiles and SD MultithreadedMolSupplier
-182: [12:07:36] -------------------------------------
-182: [12:07:36]    Results do not depend on numThreads 
-180/235 Test #199: pyTestMultithreadedMolSupplier .........   Passed    1.23 sec
-test 200
-        Start 200: pyTestPropertyLists
-
-200: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/testPropertyLists.py"
-200: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-200: Test timeout computed to be: 1500
-200: [12:07:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [12:07:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [12:07:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .[12:07:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [12:07:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [12:07:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: ...[12:07:37] Value [?] for property atom.iprop.PartiallyMissingInt of atom 0 can not be parsed. Ignoring it.
-200: [12:07:37] Value ? for property atom.iprop.PartiallyMissingInt of atom 3 can not be parsed. Ignoring it.
-200: [12:07:37] Value $$$$ for property atom.iprop.PartiallyMissingInt of atom 4 can not be parsed. Ignoring it.
-200: .
-200: ----------------------------------------------------------------------
-200: Ran 5 tests in 0.032s
-200: 
-200: OK
-181/235 Test #200: pyTestPropertyLists ....................   Passed    0.82 sec
-test 201
-        Start 201: pyCDXMLTest
-
-201: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Wrap/test_cdxml.py"
-201: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Wrap
-201: Test timeout computed to be: 1500
-185: iterative
-201: .
-201: ----------------------------------------------------------------------
-201: Ran 1 test in 0.028s
-201: 
-201: OK
-182/235 Test #201: pyCDXMLTest ............................   Passed    0.81 sec
-test 202
-        Start 202: molStandardizeTest
-
-202: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeTest
-202: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-202: Test timeout computed to be: 1500
+215/235 Test #159: moldraw2DTest1 .........................   Passed   12.47 sec
 176: VS001: PASSED
 176: VS002: PASSED
 176: VS003: PASSED
@@ -33542,361 +34198,21 @@
 176: VS300: PASSED
 176: Check finished: 0 molecules failed.
 176: Failed: 
-183/235 Test #176: pyCIPLabelsValidation ..................   Passed   18.56 sec
-test 203
-        Start 203: molNormalizeTest
-
-203: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molNormalizeTest
-203: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-203: Test timeout computed to be: 1500
-203: [12:07:39] Can't kekulize mol.  Unkekulized atoms: 3 7 8 9
-203: [12:07:39] Initializing Normalizer
-203: [12:07:39] Running Normalizer
-203: [12:07:39] Rule applied: BrokenazidetoN=N+=N-
-203: [12:07:39] Initializing Normalizer
-203: [12:07:39] Running Normalizer
-203: [12:07:39] Initializing Normalizer
-203: [12:07:39] Running Normalizer
-184/235 Test #203: molNormalizeTest .......................   Passed    0.55 sec
-test 204
-        Start 204: molValidateTest
-
-204: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molValidateTest
-204: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-204: Test timeout computed to be: 1500
-204: ERROR: [FeaturesValidation] Query atom 0 is not allowed
-204: ERROR: [FeaturesValidation] Dummy atom 0 is not allowed
-204: ERROR: [FeaturesValidation] Query bond 0 is not allowed
-204: ERROR: [FeaturesValidation] Bond 0 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 1 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 2 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 3 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 5 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 6 of aromatic type is not allowed
-204: ERROR: [FeaturesValidation] Bond 2 of dative type is not allowed
-204: ERROR: [FeaturesValidation] Bond 3 of dative type is not allowed
-204: ERROR: [FeaturesValidation] Atom 2 with alias 'CF3' is not allowed
-204: ERROR: [FeaturesValidation] Enhanced stereochemistry features are not allowed
-204: ERROR: [StereoValidation] Atom 3 has both unknown and wedged/dashed stereo bonds.
-204: here
-204: ERROR: [StereoValidation] Bond 3 has assigned stereo type, but unexpected bond order.
-204: there
-204: ERROR: [StereoValidation] Atom 0 has stereo bonds, but less than 3 explicit substituents.
-185/235 Test #204: molValidateTest ........................   Passed    0.20 sec
-test 205
-        Start 205: molChargeTest
-
-205: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molChargeTest
-205: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-205: Test timeout computed to be: 1500
-186/235 Test #205: molChargeTest ..........................   Passed    0.34 sec
-test 206
-        Start 206: molTautomerTest
-
-206: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molTautomerTest
-206: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-206: Test timeout computed to be: 1500
-52: Randomness seeded to: 3351869640
-52: ===============================================================================
-52: All tests passed (14835 assertions in 14 test cases)
-52: 
-187/235 Test  #52: canonTestsCatch ........................   Passed   52.20 sec
-test 207
-        Start 207: molStandardizeSmallTest
-
-207: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeSmallTest
-207: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-207: Test timeout computed to be: 1500
-188/235 Test #207: molStandardizeSmallTest ................   Passed    0.25 sec
-test 208
-        Start 208: molFragmentTest
-
-208: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molFragmentTest
-208: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-208: Test timeout computed to be: 1500
-185: bulk
-208: [12:07:41] SMARTS Parse Error: syntax error while parsing: [Cl
-208: [12:07:41] SMARTS Parse Error: Failed parsing SMARTS '[Cl' for input: '[Cl'
-189/235 Test #208: molFragmentTest ........................   Passed    0.35 sec
-test 209
-        Start 209: molStandardizeCatchTest
-
-209: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizeCatchTest
-209: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-209: Test timeout computed to be: 1500
-190/235 Test #202: molStandardizeTest .....................   Passed    3.01 sec
-test 210
-        Start 210: molStandardizePipelineTest
-
-210: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/molStandardizePipelineTest
-210: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize
-210: Test timeout computed to be: 1500
-210: Randomness seeded to: 3508112383
-210: 1 Counts line too short: '' on line4
-210: 1 Could not instantiate a valid molecule from input
-210: 8 Molecule has no atoms
-210: [12:07:41] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: [12:07:41] Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 8 Explicit valence for atom # 1 N, 4, is greater than permitted
-210: 128 An error occurred while preparing the molecule for standardization.
-210: 8 The molecule contains an unknown isotope: 3C
-210: 4 Query atom 0 is not allowed
-210: 4 Bond 0 of aromatic type is not allowed
-210: 4 Bond 1 of aromatic type is not allowed
-210: 4 Bond 2 of aromatic type is not allowed
-210: 4 Bond 3 of aromatic type is not allowed
-210: 4 Bond 5 of aromatic type is not allowed
-210: 4 Bond 6 of aromatic type is not allowed
-210: 4 Bond 2 of dative type is not allowed
-210: 4 Bond 3 of dative type is not allowed
-210: 4 Enhanced stereochemistry features are not allowed
-210: 8 The radical at atom 0 is not allowed
-210: [12:07:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 32 Atom 0 too close to bond 2
-210: 32 The length of bond 3 between atoms 0 and 3 exceeds a configured limit
-210: 64 Atom 0 has 3 explicit substituents and multiple stereo bonds
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: [12:07:41] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-210: 16 The molecule includes non-null Z coordinates
-210: 64 Atom 0 has adjacent stereo bonds with like orientation
-210: 32 The length of bond 16 between atoms 16 and 1 exceeds a configured limit
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The representation of some functional groups was adjusted.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 8388608 One or more metal atoms were disconnected.
-210: 33554432 One or more disconnected fragments (e.g., counterions) were removed.
-210: 67108864 The protonation state was adjusted.
-210: 16777216 The "wavy" style of bond 4 was removed
-194: ....................[12:07:42] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:42] Explicit valence for atom # 6 F, 2, is greater than permitted
-194: [12:07:42] Can't kekulize mol.  Unkekulized atoms: 3 4 5
-210: 16777216 Double bond 1 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 2 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 1 was removed
-210: 16777216 The "wavy" style of bond 4 was removed
-210: 16777216 Double bond 2 was assigned an undefined/unknown stereochemical configuration
-210: 16777216 The "wavy" style of bond 3 was removed
-210: 16777216 The representation of some functional groups was adjusted.
-210: [12:07:42] Can't kekulize mol.  Unkekulized atoms: 2 3 5
-210: ===============================================================================
-210: All tests passed (268 assertions in 5 test cases)
-210: 
-191/235 Test #210: molStandardizePipelineTest .............   Passed    0.67 sec
-test 211
-        Start 211: pyMolStandardize
-
-211: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolStandardize/Wrap/testMolStandardize.py"
-211: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolStandardize/Wrap
-211: Test timeout computed to be: 1500
-194: .................[12:07:42] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-209: Randomness seeded to: 1544489297
-209:  * - * - * - * m1
-206: [12:07:43] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-209:  * - * - * - * m2
-209:  * - * - * - * m1
-209:  * - * - * - * m2
-209: [12:07:43] Can't kekulize mol.  Unkekulized atoms: 3 7
-209: [12:07:43] Can't kekulize mol.  Unkekulized atoms: 3 8
-209: [12:07:43] Can't kekulize mol.  Unkekulized atoms: 2 3 4
-185: bulk, no symmetry
-211: .....[12:07:43] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-211: [12:07:44] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-211: .[12:07:44] Tautomer enumeration stopped at 22 tautomers: canceled
-211: Enumeration was canceled due to timeout (50 ms)
-185: [12:07:44] Relabelling existing label
-206: [12:07:44] Tautomer enumeration stopped at 292 tautomers: max transforms reached
-206: [12:07:45] Tautomer enumeration stopped at 50 tautomers: max tautomers reached
-185: Best mapping
-152: .............[12:07:45] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:45] Molecule does not have explicit Hs. Consider calling AddHs()
-192/235 Test #185: testRGroupDecomp .......................   Passed   20.75 sec
-test 212
-        Start 212: testScaffoldNetwork
-
-212: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/testScaffoldNetwork
-212: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork
-212: Test timeout computed to be: 1500
-152: [12:07:45] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:45] Molecule does not have explicit Hs. Consider calling AddHs()
-206: [12:07:45] Tautomer enumeration stopped at 28 tautomers: canceled
-206: Enumeration was canceled due to timeout (50 ms)
-152: [12:07:45] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:46] Molecule does not have explicit Hs. Consider calling AddHs()
-182: [12:07:47] -------------------------------------
-182: [12:07:47]    Results do not depend on numThreads (all same) 
-182: [12:07:47] -------------------------------------
-182: [12:07:47]    testTautomerQueries
-182: [12:07:47] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
-182: [12:07:47] -------------------------------------
-182: [12:07:47]   github3881 recursive smarts with rings 
-193/235 Test #182: substructLibraryTest ...................   Passed   24.42 sec
-test 213
-        Start 213: pyScaffoldNetwork
-
-213: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testScaffoldNetwork.py"
-213: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-213: Test timeout computed to be: 1500
-206: 375
-206: Enumeration has completed
-206: [12:07:48] Tautomer enumeration stopped at 32 tautomers: canceled
-213: .......
-213: ----------------------------------------------------------------------
-213: Ran 7 tests in 0.165s
-213: 
-213: OK
-212: Randomness seeded to: 1975399996
-212: ===============================================================================
-212: All tests passed (273 assertions in 19 test cases)
-212: 
-194/235 Test #212: testScaffoldNetwork ....................   Passed    2.72 sec
-test 214
-        Start 214: pyScaffoldNetworkPickling
-
-214: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/ScaffoldNetwork/Wrap/testPickleScaffoldNetwork.py"
-214: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/ScaffoldNetwork/Wrap
-214: Test timeout computed to be: 1500
-195/235 Test #213: pyScaffoldNetwork ......................   Passed    1.28 sec
-test 215
-        Start 215: testMolEnumerator
-
-215: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/testMolEnumerator
-215: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator
-215: Test timeout computed to be: 1500
-215: Randomness seeded to: 1481718164
-215: [12:07:48] can only enumerate SRUs with CONNECT=HT or CONNECT=HH
-215: ===============================================================================
-215: All tests passed (321 assertions in 16 test cases)
-215: 
-196/235 Test #215: testMolEnumerator ......................   Passed    0.34 sec
-test 216
-        Start 216: pyMolEnumerator
-
-216: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolEnumerator/Wrap/rough_test.py"
-216: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolEnumerator/Wrap
-216: Test timeout computed to be: 1500
-211: Enumeration has completed
-214: .
-214: ----------------------------------------------------------------------
-214: Ran 1 test in 0.026s
-214: 
-214: OK
-211: [12:07:49] Tautomer enumeration stopped at 22 tautomers: canceled
-197/235 Test #214: pyScaffoldNetworkPickling ..............   Passed    1.23 sec
-test 217
-        Start 217: testAbbreviations
-
-217: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/testAbbreviations
-217: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations
-217: Test timeout computed to be: 1500
-217: Randomness seeded to: 1810048534
-217: [12:07:49] SMARTS Parse Error: syntax error while parsing: *fail
-217: [12:07:49] SMARTS Parse Error: Failed parsing SMARTS '*fail' for input: '*fail'
-217: [12:07:49] no suitable SubstanceGroups found
-217: ===============================================================================
-217: All tests passed (195 assertions in 12 test cases)
-217: 
-198/235 Test #217: testAbbreviations ......................   Passed    0.13 sec
-test 218
-        Start 218: pyAbbreviations
-
-218: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/Abbreviations/Wrap/testAbbreviations.py"
-218: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/Abbreviations/Wrap
-218: Test timeout computed to be: 1500
-216: ...
-216: ----------------------------------------------------------------------
-216: Ran 3 tests in 0.028s
-216: 
-216: OK
-199/235 Test #216: pyMolEnumerator ........................   Passed    0.99 sec
-test 219
-        Start 219: generalizedSubstructCatch
-
-219: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/generalizedSubstructCatch
-219: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct
-219: Test timeout computed to be: 1500
-211: ..........[12:07:50] Explicit valence for atom # 1 N, 4, is greater than permitted
-211: [12:07:50] Explicit valence for atom # 1 N, 4, is greater than permitted
-211: [12:07:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [12:07:50] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-206: CN=c1cc[nH]cn1
-206: CN=c1ccnc[nH]1
-206: CNc1ccncn1
-206: res: CNc1ccncn1
-206: CN=c1cccc[nH]1
-206: CNc1ccccn1
-206: res: CNc1ccccn1
-218: .......
-218: ----------------------------------------------------------------------
-218: Ran 7 tests in 0.057s
-218: 
-218: OK
-219: Randomness seeded to: 1477716527
-219: ===============================================================================
-219: All tests passed (486 assertions in 10 test cases)
-219: 
-200/235 Test #219: generalizedSubstructCatch ..............   Passed    0.81 sec
-test 220
-        Start 220: pyGeneralizedSubstruct
-
-220: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/GeneralizedSubstruct/Wrap/testGeneralizedSubstruct.py"
-220: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/GeneralizedSubstruct/Wrap
-220: Test timeout computed to be: 1500
-201/235 Test #218: pyAbbreviations ........................   Passed    1.10 sec
-test 221
-        Start 221: testMolProcessing
-
-221: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/testMolProcessing
-221: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing
-221: Test timeout computed to be: 1500
-202/235 Test #206: molTautomerTest ........................   Passed   10.81 sec
-test 222
-        Start 222: pyMolProcessing
-
-222: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolProcessing/Wrap/testMolProcessing.py"
-222: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolProcessing/Wrap
-222: Test timeout computed to be: 1500
-184: ......[12:07:51] 
+216/235 Test #176: pyCIPLabelsValidation ..................   Passed   11.94 sec
+152: .............[20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:22] Molecule does not have explicit Hs. Consider calling AddHs()
+184: ......[20:55:22] 
 184: 
 184: ****
-220: .......
-220: ----------------------------------------------------------------------
-220: Ran 7 tests in 0.259s
-220: 
-220: OK
 184: Pre-condition Violation
 184: RingInfo not initialized
 184: Violation occurred on line 52 in file ./Code/GraphMol/RingInfo.cpp
@@ -33915,25 +34231,25 @@
 184:  9# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184: 10# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 11# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 12# 0x00007FE50CC5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 12# 0x00007F903445B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 13# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 14# 0x00007FE50F14A66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 14# 0x00007F903696666C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 15# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 16# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 20# 0x00007FE50CBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x00007FE50CBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x00007FE50CBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x00007FE50CBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x00007FE50CBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 20# 0x00007F90343B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x00007F90343B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x00007F90343B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x00007F90343B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x00007F90343B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 25# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 29# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 30# 0x00007FE50F147406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 30# 0x00007F9036963406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 31# _PyObject_MakeTpCall in /usr/bin/python3
 184: 32# _PyEval_EvalFrameDefault in /usr/bin/python3
 184: 33# 0x00000000005BEE79 in /usr/bin/python3
@@ -33965,13 +34281,13 @@
 184: 59# 0x000000000067EB1E in /usr/bin/python3
 184: 60# Py_RunMain in /usr/bin/python3
 184: 61# Py_BytesMain in /usr/bin/python3
-184: 62# 0x00007FE50FAA0CA8 in /lib/x86_64-linux-gnu/libc.so.6
+184: 62# 0x00007F90372A9CA8 in /lib/x86_64-linux-gnu/libc.so.6
 184: 63# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 184: 64# _start in /usr/bin/python3
 184: ----------
 184: ****
 184: 
-184: [12:07:51] 
+184: [20:55:22] 
 184: 
 184: ****
 184: Pre-condition Violation
@@ -33983,7 +34299,7 @@
 184:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 184:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
 184:  2# RDKit::RingInfo::numBondRings(unsigned int) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
-184:  3# 0x00007FE50C6E6C80 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
+184:  3# 0x00007F9033EE6C80 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 184:  4# Queries::EqualityQuery<int, RDKit::Bond const*, true>::Match(RDKit::Bond const*) const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 184:  5# RDKit::bondCompat(RDKit::Bond const*, RDKit::Bond const*, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184:  6# boost::detail::VF2SubState<boost::adjacency_list<boost::vecS, boost::vecS, boost::undirectedS, RDKit::Atom*, RDKit::Bond*, boost::no_property, boost::listS> const, RDKit::detail::AtomLabelFunctor, RDKit::detail::BondLabelFunctor, RDKit::MolMatchFinalCheckFunctor>::IsFeasiblePair(unsigned int, unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
@@ -33993,25 +34309,25 @@
 184: 10# RDKit::SubstructMatch(RDKit::ROMol const&, RDKit::ROMol const&, RDKit::SubstructMatchParameters const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitSubstructMatch.so.1
 184: 11# bool RDKit::SubstructMatch<RDKit::ROMol const, RDKit::ROMol>(RDKit::ROMol const&, RDKit::ROMol const&, std::vector<std::pair<int, int>, std::allocator<std::pair<int, int> > >&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 12# bool RDKit::HasSubstructMatch<RDKit::ROMol const, RDKit::ROMol const>(RDKit::ROMol const&, RDKit::ROMol const&, bool, bool, bool) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 13# 0x00007FE50CC5B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 13# 0x00007F903445B915 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 14# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 15# 0x00007FE50F14A66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 15# 0x00007F903696666C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 16# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 17# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::FileParseException, void (*)(RDKit::FileParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::FileParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 18# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 184: 19# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 184: 20# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 21# 0x00007FE50CBB69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 22# 0x00007FE50CBB6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 23# 0x00007FE50CBB6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 24# 0x00007FE50CBB6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-184: 25# 0x00007FE50CBB6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 21# 0x00007F90343B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 22# 0x00007F90343B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 23# 0x00007F90343B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 24# 0x00007F90343B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+184: 25# 0x00007F90343B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 184: 26# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 27# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 28# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 29# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 184: 30# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-184: 31# 0x00007FE50F147406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+184: 31# 0x00007F9036963406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 184: 32# _PyObject_MakeTpCall in /usr/bin/python3
 184: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
 184: 34# 0x00000000005BEE79 in /usr/bin/python3
@@ -34043,323 +34359,29 @@
 184: 60# 0x000000000067EB1E in /usr/bin/python3
 184: 61# Py_RunMain in /usr/bin/python3
 184: 62# Py_BytesMain in /usr/bin/python3
-184: 63# 0x00007FE50FAA0CA8 in /lib/x86_64-linux-gnu/libc.so.6
+184: 63# 0x00007F90372A9CA8 in /lib/x86_64-linux-gnu/libc.so.6
 184: 64# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 184: 65# _start in /usr/bin/python3
 184: ----------
 184: ****
 184: 
-203/235 Test #220: pyGeneralizedSubstruct .................   Passed    0.90 sec
-test 223
-        Start 223: testMIF
-
-223: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/testMIF
-223: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields
-223: Test timeout computed to be: 1500
-222: ..
-222: ----------------------------------------------------------------------
-222: Ran 2 tests in 0.714s
-222: 
-222: OK
-223: Randomness seeded to: 3440966940
-223: ===============================================================================
-223: All tests passed (27926 assertions in 8 test cases)
-223: 
-204/235 Test #223: testMIF ................................   Passed    0.78 sec
-test 224
-        Start 224: pyMIF
-
-224: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/GraphMol/MolInteractionFields/Wrap/testMIF.py"
-224: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/GraphMol/MolInteractionFields/Wrap
-224: Test timeout computed to be: 1500
-205/235 Test #222: pyMolProcessing ........................   Passed    1.60 sec
-test 225
-        Start 225: testQuery
-
-225: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query/testQuery
-225: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Query
-225: Test timeout computed to be: 1500
-211: ............[12:07:52] Warning: molecule is tagged as 2D, but at least one Z coordinate is not zero. Marking the mol as 3D.
-211: [12:07:52] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-211: [12:07:52] Warning: ambiguous stereochemistry - opposing bonds have opposite wedging - at atom 1 ignored.
-225: Query
-225: Query2
-225: Equality
-225: Greater
-225: GreaterEqual
-225: Less
-225: LessEqual
-225: Open Range
-225: Closed Range
-225: Float
-225: With Tolerance
-225: Set
-225: And
-225: Or
-225: XOr
-225: pointer and copy foo
-225: Set2
-206/235 Test #225: testQuery ..............................   Passed    0.02 sec
-test 226
-        Start 226: testBaseFeatures
-
-226: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features/testBaseFeatures
-226: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/Features
-226: Test timeout computed to be: 1500
-226: -------------------------------------
-226: Basics for ExplicitFeatures.
-226:   done
-226: -------------------------------------
-226: Basics for ImplicitFeatures.
-226:   done
-226: -------------------------------------
-226: ExplicitFeatures 2D, string type.
-226:   done
-207/235 Test #226: testBaseFeatures .......................   Passed    0.02 sec
-152: ...[12:07:52] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:52] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:52] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:52] Molecule does not have explicit Hs. Consider calling AddHs()
-152: [12:07:52] Molecule does not have explicit Hs. Consider calling AddHs()
-test 227
-        Start 227: testMatCalc
-
-227: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/testMatCalc
-227: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc
-227: Test timeout computed to be: 1500
-227: 1.68022e+08
-227: 1.73149e+08
-227: 1.05549e+08
-227: 7.20603e+07
-227: 1.41535e+08
-227: 1.08592e+08
-227: 1.11334e+08
-227: 2.05553e+08
-227: 1.54962e+08
-227: 8.08231e+07
-227: 5.61421e+07
-227: 1.28874e+08
-227: 1.59011e+08
-227: 8.69902e+07
-227: 1.31367e+08
-227: 2.27389e+08
-227: 1.60289e+08
-227: 7.79813e+07
-227: 1.61001e+08
-227: 2.07599e+08
-227: 2.24432e+08
-227: 1.39725e+08
-227: 2.42614e+08
-227: 1.77578e+08
-227: 1.05908e+08
-227: 9.06742e+07
-227: 1.8087e+08
-227: 1.98182e+08
-227: 2.03052e+08
-227: 1.7673e+08
-227: 9.32798e+07
-227: 1.37969e+08
-227: 1.83778e+08
-227: 2.1228e+08
-227: 5.06157e+07
-227: 1.566e+08
-227: 2.37142e+08
-227: 1.49345e+08
-227: 7.05819e+07
-227: 1.71633e+08
-227: 1.96817e+08
-227: 2.18246e+08
-227: 9.49496e+07
-227: 2.25618e+08
-227: 1.30219e+08
-208/235 Test #227: testMatCalc ............................   Passed    0.02 sec
-test 228
-        Start 228: pyMatCalc
-
-228: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py"
-228: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/DataManip/MetricMatrixCalc/Wrap
-228: Test timeout computed to be: 1500
+182: [20:55:22] -------------------------------------
+182: [20:55:22]    Results do not depend on numThreads (all same) 
+95: 0,0 0
+95: 0,1 0
+95: 1,0 0
+95: 1,1 0
+95: 2,0 0
+95: 2,1 0
+217/235 Test  #95: testEnumeration ........................   Passed   14.90 sec
+182: [20:55:22] -------------------------------------
+182: [20:55:22]    testTautomerQueries
+182: [20:55:23] Pattern fingerprints for tautomersearch aren't tautomer fingerprints, ignoring...
+182: [20:55:23] -------------------------------------
+182: [20:55:23]   github3881 recursive smarts with rings 
+218/235 Test #182: substructLibraryTest ...................   Passed   12.83 sec
 173: Query 0
-152: ...
-152: ----------------------------------------------------------------------
-152: Ran 19 tests in 49.736s
-152: 
-152: OK
-152: Testing MolAlign Wrappers
-211: ........[12:07:53] Explicit valence for atom # 1 O, 3, is greater than permitted
-209/235 Test #152: pyMolAlign .............................   Passed   51.25 sec
-test 229
-        Start 229: testSimDivPickers
-
-229: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/testSimDivPickers
-229: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
-229: Test timeout computed to be: 1500
-229: [12:07:53] -------------------------------------
-229: [12:07:53] Testing github issue 1421: MaxMinPicker picking non-existent element.
-229: [12:07:53] Done
-229: [12:07:53] -------------------------------------
-229: [12:07:53] Testing github issue 2245: MinMax Diversity picker seeding shows deterministic / non-random behaviour.
-229: [12:07:53] Done
-210/235 Test #229: testSimDivPickers ......................   Passed    0.03 sec
-test 230
-        Start 230: pickersTestsCatch
-
-230: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/pickersTestsCatch
-230: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers
-230: Test timeout computed to be: 1500
-211: ..
-211: ----------------------------------------------------------------------
-211: Ran 38 tests in 10.623s
-211: 
-211: OK
-211: done
-230: Randomness seeded to: 1017634567
-230: ===============================================================================
-230: All tests passed (21267 assertions in 1 test case)
-230: 
-211/235 Test #230: pickersTestsCatch ......................   Passed    0.22 sec
-test 231
-        Start 231: pySimDivPickers
-
-231: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/SimDivPickers/Wrap/testPickers.py"
-231: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/SimDivPickers/Wrap
-231: Test timeout computed to be: 1500
-212/235 Test #211: pyMolStandardize .......................   Passed   11.23 sec
-test 232
-        Start 232: pyRanker
-
-232: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ML/InfoTheory/Wrap/testRanker.py"
-232: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ML/InfoTheory/Wrap
-232: Test timeout computed to be: 1500
-224: .......
-224: ----------------------------------------------------------------------
-224: Ran 7 tests in 0.498s
-224: 
-224: OK
-224: Testing MIF wrapper
-231: [12:07:53] the useCache argument is deprecated and ignored
-213/235 Test #224: pyMIF ..................................   Passed    1.42 sec
-test 233
-        Start 233: testChemicalFeatures
-
-233: Test command: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/testChemicalFeatures
-233: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures
-233: Test timeout computed to be: 1500
-233: -----------------------------------------
-233: Test1
-233: Done
-214/235 Test #233: testChemicalFeatures ...................   Passed    0.03 sec
-232: ..[12:07:54] 
-232: 
-232: ****
-232: Invariant Violation
-232: Can't rank more bits than the ensemble size
-232: Violation occurred on line 156 in file ./Code/ML/InfoTheory/InfoBitRanker.cpp
-232: Failed Expression: num <= dp_maskBits->getNumOnBits()
-232: ----------
-232: Stacktrace:
-232:  0# Invar::Invariant::toString[abi:cxx11]() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-232:  1# Invar::operator<<(std::ostream&, Invar::Invariant const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitRDGeneral.so.1
-232:  2# RDInfoTheory::InfoBitRanker::getTopN(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitInfoTheory.so.1
-232:  3# RDInfoTheory::getTopNbits(RDInfoTheory::InfoBitRanker*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
-232:  4# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<_object* (*)(RDInfoTheory::InfoBitRanker*, int), boost::python::default_call_policies, boost::mpl::vector3<_object*, RDInfoTheory::InfoBitRanker*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/ML/InfoTheory/rdInfoTheory.so
-232:  5# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  6# 0x00007F7CAFEB266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  7# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232:  9# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 10# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 11# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
-232: 12# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232: 13# 0x00007F7CAFEAF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-232: 14# _PyObject_MakeTpCall in /usr/bin/python3
-232: 15# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 16# 0x00000000005BEE79 in /usr/bin/python3
-232: 17# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 18# 0x0000000000547080 in /usr/bin/python3
-232: 19# 0x00000000006AB720 in /usr/bin/python3
-232: 20# _PyObject_MakeTpCall in /usr/bin/python3
-232: 21# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 22# 0x00000000005BEE79 in /usr/bin/python3
-232: 23# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 24# 0x0000000000547080 in /usr/bin/python3
-232: 25# 0x00000000006AB720 in /usr/bin/python3
-232: 26# _PyObject_MakeTpCall in /usr/bin/python3
-232: 27# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 28# 0x00000000005BEE79 in /usr/bin/python3
-232: 29# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 30# 0x0000000000547080 in /usr/bin/python3
-232: 31# 0x00000000006AB720 in /usr/bin/python3
-232: 32# _PyObject_MakeTpCall in /usr/bin/python3
-232: 33# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 34# 0x000000000059582E in /usr/bin/python3
-232: 35# _PyObject_MakeTpCall in /usr/bin/python3
-232: 36# _PyEval_EvalFrameDefault in /usr/bin/python3
-232: 37# PyEval_EvalCode in /usr/bin/python3
-232: 38# 0x000000000066A861 in /usr/bin/python3
-232: 39# 0x000000000066670C in /usr/bin/python3
-232: 40# 0x000000000067F713 in /usr/bin/python3
-232: 41# 0x000000000067ECE3 in /usr/bin/python3
-232: 42# 0x000000000067EB1E in /usr/bin/python3
-232: 43# Py_RunMain in /usr/bin/python3
-232: 44# Py_BytesMain in /usr/bin/python3
-232: 45# 0x00007F7CB10E0CA8 in /lib/x86_64-linux-gnu/libc.so.6
-232: 46# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
-232: 47# _start in /usr/bin/python3
-232: ----------
-232: ****
-232: 
-test 234
-        Start 234: pyFeatures
-
-234: Test command: /usr/bin/python3 "/build/reproducible-path/rdkit-202409.6/Code/ChemicalFeatures/Wrap/testFeatures.py"
-234: Working Directory: /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/Code/ChemicalFeatures/Wrap
-234: Test timeout computed to be: 1500
-232: ...
-232: ----------------------------------------------------------------------
-232: Ran 5 tests in 0.075s
-232: 
-232: OK
-215/235 Test #198: pyTestThreads ..........................   Passed   19.23 sec
-test 235
-        Start 235: pythonProjectTests
-
-235: Test command: /usr/bin/python3 "-m" "pytest"
-235: Working Directory: /build/reproducible-path/rdkit-202409.6/Projects
-235: Test timeout computed to be: 1500
-231: ...[12:07:54] the useCache argument is deprecated and ignored
-231: [12:07:54] the useCache argument is deprecated and ignored
-231: .[12:07:54] the useCache argument is deprecated and ignored
-29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
-216/235 Test #232: pyRanker ...............................   Passed    0.84 sec
-228: .....
-228: ----------------------------------------------------------------------
-228: Ran 5 tests in 0.850s
-228: 
-228: OK
-29: All 191 tests passed
-29:   done
-29: -------------------------------------
-29: Unit tests for all MMFF constraint terms.
-29: 10.0003
-217/235 Test #228: pyMatCalc ..............................   Passed    1.65 sec
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF TorsionConstraint close to 0 degrees.
-29:   done
-29: -------------------------------------
-29: Unit tests for copying MMFF ForceFields.
-29:   done
-29: -------------------------------------
-29: Unit test for MMFF butane scan.
-234: ..
-234: ----------------------------------------------------------------------
-234: Ran 2 tests in 0.007s
-234: 
-234: OK
-234: Testing ChemicalFeatures Wrapper code:
-218/235 Test #234: pyFeatures .............................   Passed    0.78 sec
-194: ..[12:07:54] 
+194: ..[20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34373,7 +34395,7 @@
 194:  2# RDKit::Atom::getOwningMol() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::ROMol& (RDKit::Atom::*)() const, boost::python::return_internal_reference<1ul, boost::python::default_call_policies>, boost::mpl::vector2<RDKit::ROMol&, RDKit::Atom&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34384,17 +34406,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34426,13 +34448,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [12:07:55] 
+194: [20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34446,7 +34468,7 @@
 194:  2# RDKit::AtomGetNeighbors(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34457,17 +34479,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34499,13 +34521,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [12:07:55] 
+194: [20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34519,7 +34541,7 @@
 194:  2# RDKit::AtomGetBonds(RDKit::Atom*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<boost::python::tuple (*)(RDKit::Atom*), boost::python::default_call_policies, boost::mpl::vector2<boost::python::tuple, RDKit::Atom*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34530,17 +34552,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34572,13 +34594,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [12:07:55] 
+194: [20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34592,7 +34614,7 @@
 194:  2# RDKit::AtomIsInRing(RDKit::Atom const*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*), boost::python::default_call_policies, boost::mpl::vector2<bool, RDKit::Atom const*> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34603,17 +34625,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34645,13 +34667,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: [12:07:55] 
+194: [20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34665,7 +34687,7 @@
 194:  2# RDKit::AtomIsInRingSize(RDKit::Atom const*, int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<bool (*)(RDKit::Atom const*, int), boost::python::default_call_policies, boost::mpl::vector3<bool, RDKit::Atom const*, int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34676,17 +34698,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34718,13 +34740,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .....[12:07:55] 
+194: .....[20:55:24] 
 194: 
 194: ****
 194: Range Error
@@ -34738,7 +34760,7 @@
 194:  2# RDKit::RWMol::addBond(unsigned int, unsigned int, RDKit::Bond::BondType) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<int (RDKit::ReadWriteMol::*)(unsigned int, unsigned int, RDKit::Bond::BondType), boost::python::default_call_policies, boost::mpl::vector5<int, RDKit::ReadWriteMol&, unsigned int, unsigned int, RDKit::Bond::BondType> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34749,17 +34771,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34791,51 +34813,49 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ......[12:07:55] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [12:07:55] ERROR: Smiles parse error on line 0
-194: [12:07:55] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [12:07:55] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [12:07:55] SMILES Parse Error: check for mistakes around position 2:
-194: [12:07:55] C(C
-194: [12:07:55] ~^
-194: [12:07:55] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [12:07:55] ERROR: Smiles parse error on line 3
-194: [12:07:55] ERROR: Cannot create molecule from : 'C(C'
-194: [12:07:55] Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [12:07:55] ERROR: Could not sanitize molecule on line 6
-194: [12:07:55] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
-194: [12:07:55] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
-194: [12:07:55] ERROR: Smiles parse error on line 0
-194: [12:07:55] ERROR: Cannot create molecule from : 'c1ccccc'
-194: [12:07:55] SMILES Parse Error: extra open parentheses while parsing: C(C
-194: [12:07:55] SMILES Parse Error: check for mistakes around position 2:
-194: [12:07:55] C(C
-194: [12:07:55] ~^
-194: [12:07:55] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
-194: [12:07:55] ERROR: Smiles parse error on line 3
-194: [12:07:55] ERROR: Cannot create molecule from : 'C(C'
-194: [12:07:55] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
-194: [12:07:55] ERROR: Smiles parse error on line 6
-194: [12:07:55] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
-194: [12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] ERROR: Could not sanitize molecule ending on line 21
-194: [12:07:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] ERROR: EOF hit while reading atoms
-194: [12:07:55] ERROR: moving to the beginning of the next molecule
-194: [12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] ERROR: Could not sanitize molecule ending on line 21
-194: [12:07:55] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
-29:   done
-194: [12:07:55] ERROR: EOF hit while reading atoms
-194: [12:07:55] ERROR: moving to the beginning of the next molecule
-219/235 Test  #29: testMMFFForceField .....................   Passed   66.88 sec
-194: ....[12:07:55] 
+194: ......[20:55:24] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [20:55:24] ERROR: Smiles parse error on line 0
+194: [20:55:24] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [20:55:24] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 2:
+194: [20:55:24] C(C
+194: [20:55:24] ~^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [20:55:24] ERROR: Smiles parse error on line 3
+194: [20:55:24] ERROR: Cannot create molecule from : 'C(C'
+194: [20:55:24] Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [20:55:24] ERROR: Could not sanitize molecule on line 6
+194: [20:55:24] ERROR: Explicit valence for atom # 1 C, 5, is greater than permitted
+194: [20:55:24] SMILES Parse Error: unclosed ring for input: 'c1ccccc'
+194: [20:55:24] ERROR: Smiles parse error on line 0
+194: [20:55:24] ERROR: Cannot create molecule from : 'c1ccccc'
+194: [20:55:24] SMILES Parse Error: extra open parentheses while parsing: C(C
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 2:
+194: [20:55:24] C(C
+194: [20:55:24] ~^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'C(C' for input: 'C(C'
+194: [20:55:24] ERROR: Smiles parse error on line 3
+194: [20:55:24] ERROR: Cannot create molecule from : 'C(C'
+194: [20:55:24] SMILES Parse Error: unclosed ring for input: 'C1C(Cl)CCCC'
+194: [20:55:24] ERROR: Smiles parse error on line 6
+194: [20:55:24] ERROR: Cannot create molecule from : 'C1C(Cl)CCCC'
+194: [20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] ERROR: Could not sanitize molecule ending on line 21
+194: [20:55:24] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] ERROR: EOF hit while reading atoms
+194: [20:55:24] ERROR: moving to the beginning of the next molecule
+194: [20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] ERROR: Could not sanitize molecule ending on line 21
+194: [20:55:24] ERROR: Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] ERROR: EOF hit while reading atoms
+194: [20:55:24] ERROR: moving to the beginning of the next molecule
+194: ....[20:55:24] 
 194: 
 194: ****
 194: Pre-condition Violation
@@ -34849,7 +34869,7 @@
 194:  2# RDKit::RingInfo::numRings() const in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<unsigned int (RDKit::RingInfo::*)() const, boost::python::default_call_policies, boost::mpl::vector2<unsigned int, RDKit::RingInfo&> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34860,17 +34880,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34902,13 +34922,13 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: .............[12:07:55] 
+194: .............[20:55:24] 
 194: 
 194: ****
 194: Range Error
@@ -34922,7 +34942,7 @@
 194:  2# RDKit::ROMol::getAtomWithIdx(unsigned int) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu//lib/libRDKitGraphMol.so.1
 194:  3# boost::python::objects::caller_py_function_impl<boost::python::detail::caller<RDKit::Atom* (RDKit::ROMol::*)(unsigned int), boost::python::return_internal_reference<1ul, boost::python::with_custodian_and_ward_postcall<0ul, 1ul, boost::python::default_call_policies> >, boost::mpl::vector3<RDKit::Atom*, RDKit::ROMol&, unsigned int> > >::operator()(_object*, _object*) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194:  4# boost::python::objects::function::call(_object*, _object*) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194:  5# 0x00007F3003D0266C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194:  5# 0x00007F472CAED66C in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  6# boost::python::detail::exception_handler::operator()(boost::function0<void> const&) const in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194:  7# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::SLNParseException, void (*)(RDKit::SLNParseException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::SLNParseException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdSLNParse.so
 194:  8# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ChemicalReactionException, void (*)(RDKit::ChemicalReactionException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ChemicalReactionException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdChemReactions.so
@@ -34933,17 +34953,17 @@
 194: 13# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::BadFileException, void (*)(RDKit::BadFileException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::BadFileException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdmolfiles.so
 194: 14# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::CIPLabeler::MaxIterationsExceeded, void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::CIPLabeler::MaxIterationsExceeded const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdCIPLabeler.so
 194: 15# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<RDKit::ConformerException, void (*)(RDKit::ConformerException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(RDKit::ConformerException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 16# 0x00007F30013B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 17# 0x00007F30013B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 18# 0x00007F30013B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 19# 0x00007F30013B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
-194: 20# 0x00007F30013B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 16# 0x00007F472A1B69C3 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 17# 0x00007F472A1B6993 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 18# 0x00007F472A1B6963 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 19# 0x00007F472A1B6933 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
+194: 20# 0x00007F472A1B6903 in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/Chem/rdchem.so
 194: 21# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<Invar::Invariant, void (*)(Invar::Invariant const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(Invar::Invariant const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 22# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<KeyErrorException, void (*)(KeyErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(KeyErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 23# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<ValueErrorException, void (*)(ValueErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(ValueErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 24# boost::detail::function::function_obj_invoker2<boost::_bi::bind_t<bool, boost::python::detail::translate_exception<IndexErrorException, void (*)(IndexErrorException const&)>, boost::_bi::list3<boost::arg<1>, boost::arg<2>, boost::_bi::value<void (*)(IndexErrorException const&)> > >, bool, boost::python::detail::exception_handler const&, boost::function0<void> const&>::invoke(boost::detail::function::function_buffer&, boost::python::detail::exception_handler const&, boost::function0<void> const&) in /build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu/rdkit/rdBase.so
 194: 25# boost::python::handle_exception_impl(boost::function0<void>) in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
-194: 26# 0x00007F3003CFF406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
+194: 26# 0x00007F472CAEA406 in /lib/x86_64-linux-gnu/libboost_python313.so.1.83.0
 194: 27# _PyObject_MakeTpCall in /usr/bin/python3
 194: 28# _PyEval_EvalFrameDefault in /usr/bin/python3
 194: 29# 0x00000000005BEE79 in /usr/bin/python3
@@ -34975,86 +34995,109 @@
 194: 55# 0x000000000067EB1E in /usr/bin/python3
 194: 56# Py_RunMain in /usr/bin/python3
 194: 57# Py_BytesMain in /usr/bin/python3
-194: 58# 0x00007F3004508CA8 in /lib/x86_64-linux-gnu/libc.so.6
+194: 58# 0x00007F472D2C7CA8 in /lib/x86_64-linux-gnu/libc.so.6
 194: 59# __libc_start_main in /lib/x86_64-linux-gnu/libc.so.6
 194: 60# _start in /usr/bin/python3
 194: ----------
 194: ****
 194: 
-194: ...[12:07:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
-194: ............................[12:07:55] SMILES Parse Error: unclosed ring for input: 'C1CC'
+194: ...[20:55:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2 3 4
+194: ............................[20:55:24] SMILES Parse Error: unclosed ring for input: 'C1CC'
 194: ......smi:  CC1=C(n2cccc2[C@H](C)Cl)C(C)CCC1 |(2.679,0.4142,;1.3509,1.181,;0.0229,0.4141,;0.0229,-1.1195,;1.2645,-2.0302,;0.7901,-3.4813,;-0.7446,-3.4813,;-1.219,-2.0302,;-2.679,-1.5609,;-3.0039,-0.0556,;-3.8202,-2.595,;-1.3054,1.1809,;-2.6335,0.4141,;-1.3054,2.7145,;0.0229,3.4813,;1.3509,2.7146,),wD:8.9,2.11,a:2,&1:8|
-194: 1
-194: ..[12:07:55] WARNING: not removing hydrogen atom without neighbors
-194: [12:07:55] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: [12:07:55] WARNING: not removing hydrogen atom with wedged bond
-194: [12:07:55] WARNING: not removing hydrogen atom without neighbors
-194: [12:07:55] WARNING: not removing hydrogen atom with dummy atom neighbors
-194: ......[12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: .[12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] Explicit valence for atom # 1 F, 2, is greater than permitted
-194: [12:07:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [12:07:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: [12:07:55] Can't kekulize mol.  Unkekulized atoms: 0 1 2
-194: ..........[12:07:55] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [12:07:55] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: .[12:07:55] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
-194: [12:07:55] SMILES Parse Error: check for mistakes around position 4:
-194: [12:07:55] CCC |$foo;;bar$| ourname
-194: [12:07:55] ~~~^
-194: [12:07:55] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
-194: ..[12:07:55] SMILES Parse Error: syntax error while parsing: error
-194: [12:07:55] SMILES Parse Error: check for mistakes around position 1:
-194: [12:07:55] error
-194: [12:07:55] ^
-194: [12:07:55] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
-194: [12:07:55] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
-194: [12:07:55] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
-194: [12:07:55] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
-194: .........................[12:07:56] SMILES Parse Error: syntax error while parsing: garbage_0
-194: [12:07:56] SMILES Parse Error: check for mistakes around position 1:
-194: [12:07:56] garbage_0
-194: [12:07:56] ^
-194: [12:07:56] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
-194: [12:07:56] SMILES Parse Error: syntax error while parsing: garbage_2
-194: [12:07:56] SMILES Parse Error: check for mistakes around position 1:
-194: [12:07:56] garbage_2
-194: [12:07:56] ^
-194: [12:07:56] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
-194: [12:07:56] SMILES Parse Error: syntax error while parsing: garbage_4
-194: [12:07:56] SMILES Parse Error: check for mistakes around position 1:
-194: [12:07:56] garbage_4
-194: [12:07:56] ^
-194: [12:07:56] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+194: 728
+194: ..[20:55:24] WARNING: not removing hydrogen atom without neighbors
+194: [20:55:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+194: [20:55:24] WARNING: not removing hydrogen atom with wedged bond
+194: [20:55:24] WARNING: not removing hydrogen atom without neighbors
+194: [20:55:24] WARNING: not removing hydrogen atom with dummy atom neighbors
+152: ...[20:55:24] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:24] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:24] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:24] Molecule does not have explicit Hs. Consider calling AddHs()
+152: [20:55:24] Molecule does not have explicit Hs. Consider calling AddHs()
+194: ......[20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: .[20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] Explicit valence for atom # 1 F, 2, is greater than permitted
+194: [20:55:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [20:55:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+194: [20:55:24] Can't kekulize mol.  Unkekulized atoms: 0 1 2
+152: ...
+152: ----------------------------------------------------------------------
+152: Ran 19 tests in 15.542s
+152: 
+152: OK
+152: Testing MolAlign Wrappers
+194: ..........[20:55:24] SMARTS Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [20:55:24] SMARTS Parse Error: Failed parsing SMARTS 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: .[20:55:24] SMILES Parse Error: syntax error while parsing: CCC |$foo;;bar$| ourname
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 4:
+194: [20:55:24] CCC |$foo;;bar$| ourname
+194: [20:55:24] ~~~^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'CCC |$foo;;bar$| ourname' for input: 'CCC |$foo;;bar$| ourname'
+194: ..[20:55:24] SMILES Parse Error: syntax error while parsing: error
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:24] error
+194: [20:55:24] ^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'error' for input: 'error'
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'd' for input: 'd'
+194: [20:55:24] SMARTS Parse Error: Failed parsing SMARTS 'error' for input: 'error'
+194: [20:55:24] SMARTS Parse Error: Failed parsing SMARTS 'd' for input: 'd'
+194: .........................[20:55:24] SMILES Parse Error: syntax error while parsing: garbage_0
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:24] garbage_0
+194: [20:55:24] ^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'garbage_0' for input: 'garbage_0'
+194: [20:55:24] SMILES Parse Error: syntax error while parsing: garbage_2
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:24] garbage_2
+194: [20:55:24] ^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'garbage_2' for input: 'garbage_2'
+194: [20:55:24] SMILES Parse Error: syntax error while parsing: garbage_4
+194: [20:55:24] SMILES Parse Error: check for mistakes around position 1:
+194: [20:55:24] garbage_4
+194: [20:55:24] ^
+194: [20:55:24] SMILES Parse Error: Failed parsing SMILES 'garbage_4' for input: 'garbage_4'
+219/235 Test #152: pyMolAlign .............................   Passed   15.89 sec
 194: ............
 194: ----------------------------------------------------------------------
-194: Ran 279 tests in 21.661s
+194: Ran 279 tests in 12.066s
 194: 
 194: OK
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SmilesMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.SDMolSupplier'>
 194: supplier: <class 'rdkit.Chem.rdmolfiles.TDTMolSupplier'>
-220/235 Test #194: pyGraphMolWrap .........................   Passed   24.00 sec
-231: .......
-231: ----------------------------------------------------------------------
-231: Ran 11 tests in 2.751s
-231: 
-231: OK
-221/235 Test #231: pySimDivPickers ........................   Passed    3.25 sec
-221: Randomness seeded to: 2775156493
-221: ===============================================================================
-221: All tests passed (203 assertions in 1 test case)
-221: 
-222/235 Test #221: testMolProcessing ......................   Passed    6.08 sec
-235: ============================= test session starts ==============================
-235: platform linux -- Python 3.13.2, pytest-8.3.5, pluggy-1.5.0
-235: rootdir: /build/reproducible-path/rdkit-202409.6/Projects
-235: configfile: pytest.ini
-235: collected 12 items
-235: 
+220/235 Test #194: pyGraphMolWrap .........................   Passed   12.94 sec
+29: Checking against /build/reproducible-path/rdkit-202409.6/Code/ForceField/MMFF/test_data/MMFF94_reference.log...
+29: All 191 tests passed
+29:   done
+29: -------------------------------------
+29: Unit tests for all MMFF constraint terms.
+184: .............
+184: ----------------------------------------------------------------------
+184: Ran 19 tests in 13.310s
+184: 
+184: OK
+184: Testing atom rings
+184: testing bond rings
+184: searching atom rings
+184: searching bond rings
+184: done
+29: 10.0003
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF TorsionConstraint close to 0 degrees.
+29:   done
+29: -------------------------------------
+29: Unit tests for copying MMFF ForceFields.
+221/235 Test #184: pySubstructLibrary .....................   Passed   14.72 sec
+29:   done
+29: -------------------------------------
+29: Unit test for MMFF butane scan.
+29:   done
+222/235 Test  #29: testMMFFForceField .....................   Passed   17.71 sec
 173: Query 1
 163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
 163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
@@ -35062,29 +35105,13 @@
 163: MCS MatchStereo true  : [#6]-[#6]-[#6] 3 atoms, 2 bonds
 163: MCS MatchStereo false : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
 163: MCS MatchStereo true  : [#6]-[#6]-[#6]=[#6]-[#6]-[#6] 6 atoms, 5 bonds
-163: TOTAL Time elapsed 51.50 seconds
-223/235 Test #163: testFMCS ...............................   Passed   51.60 sec
-148: .........[12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: .[12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
-148: [12:08:01] Molecule does not have explicit Hs. Consider calling AddHs()
+163: TOTAL Time elapsed 17.47 seconds
+223/235 Test #163: testFMCS ...............................   Passed   17.53 sec
+52: Randomness seeded to: 197842918
+52: ===============================================================================
+52: All tests passed (14835 assertions in 14 test cases)
+52: 
+224/235 Test  #52: canonTestsCatch ........................   Passed   19.92 sec
 173: Query 2
 150: 	---------------------------------
 150: 	 test O3A multithreading bug
@@ -35093,42 +35120,55 @@
 150: 	 testCrippenO3A multithreading
 150: 
 150: generating reference data
+148: .........[20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: .[20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
+148: [20:55:28] Molecule does not have explicit Hs. Consider calling AddHs()
 150: processing
 150:  launch :0
 150:  launch :1
 150:  launch :2
 150:  launch :3
+209: [20:55:29] Explicit valence for atom # 0 Br, 1, is greater than permitted
+209: ===============================================================================
+209: All tests passed (38344 assertions in 51 test cases)
+209: 
+225/235 Test #209: molStandardizeCatchTest ................   Passed   16.36 sec
+33: [20:55:30] Finished
+33: [20:55:30] -------------------------------------
+33: [20:55:30]     Test github1843: RWMol.clear() should not destroy ring pointer.
+33: [20:55:30] Finished
+33: [20:55:30] -------------------------------------
+33: [20:55:30]     Test Github 6370: non-physical radical counts being preserved
+33: [20:55:30] Finished
+226/235 Test  #33: graphmolTest1 ..........................   Passed   23.09 sec
 148: ...
 148: ----------------------------------------------------------------------
-148: Ran 22 tests in 68.610s
+148: Ran 22 tests in 21.832s
 148: 
 148: OK
-224/235 Test #148: pyDistGeomHelpers ......................   Passed   69.99 sec
-184: .............
-184: ----------------------------------------------------------------------
-184: Ran 19 tests in 47.963s
-184: 
-184: OK
-184: Testing atom rings
-184: testing bond rings
-184: searching atom rings
-184: searching bond rings
-184: done
-225/235 Test #184: pySubstructLibrary .....................   Passed   49.34 sec
-209: [12:08:20] Explicit valence for atom # 0 Br, 1, is greater than permitted
-209: ===============================================================================
-209: All tests passed (38344 assertions in 51 test cases)
-209: 
-226/235 Test #209: molStandardizeCatchTest ................   Passed   39.12 sec
-147: [12:08:33] UFFTYPER: Unrecognized atom type: S_6+6 (0)
-147: [12:08:33] UFFTYPER: Warning: hybridization set to SP3 for atom 0
-147: [12:08:33] UFFTYPER: Unrecognized charge state for atom: 0
-150: 	---------------------------------
-150: 	 test getO3AForProbeConfs
-150: 
-150: ***********************************************************
-227/235 Test #150: testO3AAlign ...........................   Passed   99.08 sec
-146: [12:08:57]   done
+227/235 Test #148: pyDistGeomHelpers ......................   Passed   22.19 sec
+5: [20:55:33] Finished: testMultipleTimes() 
+5: [20:55:33] 
+5: -----------------------------------------
+228/235 Test   #5: testConcurrentQueue ....................   Passed   26.30 sec
 235: DbCLI/UnitTestDbCLI.py ............                                      [100%]
 235: 
 235: =============================== warnings summary ===============================
@@ -35137,32 +35177,37 @@
 235:     decBase = declarative_base()
 235: 
 235: -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
-235: =================== 12 passed, 1 warning in 65.85s (0:01:05) ===================
-228/235 Test #235: pythonProjectTests .....................   Passed   67.54 sec
-146: [12:08:57] 	---------------------------------
-146: [12:08:57] 	 test github issue 256: handling of zero-atom molecules
+235: ======================== 12 passed, 1 warning in 19.40s ========================
+229/235 Test #235: pythonProjectTests .....................   Passed   20.01 sec
+150: 	---------------------------------
+150: 	 test getO3AForProbeConfs
+150: 
+150: ***********************************************************
+230/235 Test #150: testO3AAlign ...........................   Passed   26.17 sec
+147: [20:55:38] UFFTYPER: Unrecognized atom type: S_6+6 (0)
+147: [20:55:38] UFFTYPER: Warning: hybridization set to SP3 for atom 0
+147: [20:55:38] UFFTYPER: Unrecognized charge state for atom: 0
+146: [20:55:47]   done
+171: ===============================================================================
+171: All tests passed (93 assertions in 5 test cases)
+171: 
+231/235 Test #171: testRascalCluster ......................   Passed   39.80 sec
+146: [20:55:47] 	---------------------------------
+146: [20:55:47] 	 test github issue 256: handling of zero-atom molecules
 146: 
-146: [12:08:57] 	---------------------------------
-146: [12:08:57] 	 test embedder callback function 
-146: [12:08:57] 	---------------------------------
-146: [12:08:57] 	 test multi-threaded multi-conf embedding 
+146: [20:55:47] 	---------------------------------
+146: [20:55:47] 	 test embedder callback function 
+146: [20:55:47] 	---------------------------------
+146: [20:55:47] 	 test multi-threaded multi-conf embedding 
 146: 
-146: [12:09:07] 	---------------------------------
-146: [12:09:07] 	 test github issue 563: Incorrect ring stereochemistry after embedding
+146: [20:55:49] 	---------------------------------
+146: [20:55:49] 	 test github issue 563: Incorrect ring stereochemistry after embedding
 146: 
 146: CNC[C@H]1CC[C@H](C[NH3+])CC1
 173: Query 3
-33: [12:09:10] Finished
-33: [12:09:10] -------------------------------------
-33: [12:09:10]     Test github1843: RWMol.clear() should not destroy ring pointer.
-33: [12:09:10] Finished
-33: [12:09:10] -------------------------------------
-33: [12:09:10]     Test Github 6370: non-physical radical counts being preserved
-33: [12:09:10] Finished
-229/235 Test  #33: graphmolTest1 ..........................   Passed  141.80 sec
 173: Query 4
-146: [12:09:11] 	---------------------------------
-146: [12:09:11] 	 test github issue 568: Incorrect stereochemistry after embedding
+146: [20:55:50] 	---------------------------------
+146: [20:55:50] 	 test github issue 568: Incorrect stereochemistry after embedding
 146: 
 146: C1=NC[C@]2(CN3CC[C@@H]2C3)O1
 146: O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2
@@ -35170,10 +35215,6 @@
 146: Cn1cc(C2=NC[C@]3(CN4CC[C@@H]3C4)O2)c2ccccc21
 146: Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O
 146: CO[C@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
-171: ===============================================================================
-171: All tests passed (93 assertions in 5 test cases)
-171: 
-230/235 Test #171: testRascalCluster ......................   Passed  125.36 sec
 146: CO[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CCS[C@@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O
 146: CCCCC[C@H](O)/C=C/[C@@]1(F)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
@@ -35183,17 +35224,18 @@
 146: CN1CC[C@H]2COc3c(O)cccc3[C@H]21
 146: CC(=O)C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@@H]3[C@H]1CC2
 146: O=C(O)[C@@H]1C[C@H]2C[C@@H](CCc3nn[nH]n3)CC[C@H]2CN1
-170: ===============================================================================
-170: All tests passed (3582 assertions in 34 test cases)
-170: 
-231/235 Test #170: testRascalMCES .........................   Passed  135.41 sec
 146: COc1ccc2c(c1)OC[C@@H](N1CCC(O)(c3ccc(F)cc3)CC1)[C@H]2O
 146: Oc1ccc2c(c1)OC[C@@H](N1CCC(Cc3ccccc3)CC1)[C@H]2O
 146: Oc1ccc2c(c1)OC[C@H](N1CCC(O)(c3ccccc3)CC1)[C@@H]2O
 146: CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3
-173: Query 5
+170: ===============================================================================
+170: All tests passed (3582 assertions in 34 test cases)
+170: 
+232/235 Test #170: testRascalMCES .........................   Passed   49.43 sec
 146: CC(=O)O[C@@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5
-147: [12:09:33] Interrupted, cancelling conformer generation
+173: Query 5
+146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
+147: [20:56:00] Interrupted, cancelling conformer generation
 147: Atoms:
 147: 	0 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[9 3 1 6]
 147: 	1 6 C chg: 0  deg: 4 exp: 4 imp: 0 hyb: SP3 chi: CCW nbrs:[0 13 6 7]
@@ -35226,63 +35268,58 @@
 147: 	13 7->5 order: 1
 147: 	14 8->12 order: a conj?: 1 aromatic?: 1
 147: 	15 11->2 order: 1 stereo: CCW bonds: (9 4 5) conj?: 1
+146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
 147: ===============================================================================
 147: All tests passed (12742 assertions in 21 test cases)
 147: 
-232/235 Test #147: distGeomHelpersCatch ...................   Passed  153.57 sec
-146: COc1cc2c(cc1OC)[C@@H]1C[C@@H]3C[C@H](O)CC[C@@H]3CN1CC2
-146: N#C[C@@H]1C[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C[C@@H]1O)OCO5
+233/235 Test #147: distGeomHelpersCatch ...................   Passed   52.32 sec
 146: COC(=O)[C@@H]1C[C@](C)(C(=O)O)NC(=O)N1
 146: CC(=O)OC1=C(Sc2ccccc2)C[C@H]2Cc3cc4cccc(O)c4c(O)c3C(=O)[C@H]2C1
 146: Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)C1
 146: C[C@H](C(N)=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(OCc2cccc(F)c2)cc13
 146: CN1C(=O)CC[C@@]2(C)C1=CCc1cc(Cl)ccc12
 146: Cc1nc(COc2ccc3c(c2)[C@@H](O)[C@@H](Cc2cccnc2)CO3)ccc1[N+](=O)[O-]
-146: [12:09:55] Molecule does not have explicit Hs. Consider calling AddHs()
-146: [12:09:44] 	---------------------------------
-146: [12:09:44] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
-146: [12:09:44] 	---------------------------------
-146: [12:09:44] 	 More ChEMBL molecules failing bounds smoothing.
-146: [12:09:44] 	---------------------------------
-146: [12:09:44] 	 ugly conformations can be generated for highly constrained ring systems.
-146: [12:09:44] 	---------------------------------
-146: [12:09:44] 	 test embed parameters structure.
-146: [12:09:45] 	---------------------------------
-146: [12:09:45] 	 test github 1227: Hs being used in RMSD filtering.
-146: [12:09:45] 	---------------------------------
-146: [12:09:45] 	 Failure to embed larger aromatic rings.
-146: [12:09:48] 	---------------------------------
-146: [12:09:48] 	 Deterministic with large random seeds
-146: [12:09:53] 	---------------------------------
-146: [12:09:53] 	 Github #1990: seg fault after RemoveHs
-146: [12:09:53] 	---------------------------------
-146: [12:09:53] 	 Github #2246: Use coordMap when starting embedding from random coords
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 Providing a distance bounds matrix.
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 Disabling fragmentation.
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 Using symmetry in conformation pruning.
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 Force trans amides.
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 test missing Hs warning.
-146: [12:09:55] 	---------------------------------
-146: [12:09:55] 	 basic H bond support.
-146: [12:09:55] *******************************************************
-233/235 Test #146: testDistGeomHelpers ....................   Passed  175.40 sec
+146: [20:56:09] Molecule does not have explicit Hs. Consider calling AddHs()
+146: [20:56:04] 	---------------------------------
+146: [20:56:04] 	 test github issue 696: Bad 1-4 bounds matrix elements in highly constrained system
+146: [20:56:04] 	---------------------------------
+146: [20:56:04] 	 More ChEMBL molecules failing bounds smoothing.
+146: [20:56:04] 	---------------------------------
+146: [20:56:04] 	 ugly conformations can be generated for highly constrained ring systems.
+146: [20:56:04] 	---------------------------------
+146: [20:56:04] 	 test embed parameters structure.
+146: [20:56:05] 	---------------------------------
+146: [20:56:05] 	 test github 1227: Hs being used in RMSD filtering.
+146: [20:56:05] 	---------------------------------
+146: [20:56:05] 	 Failure to embed larger aromatic rings.
+146: [20:56:06] 	---------------------------------
+146: [20:56:06] 	 Deterministic with large random seeds
+146: [20:56:08] 	---------------------------------
+146: [20:56:08] 	 Github #1990: seg fault after RemoveHs
+146: [20:56:08] 	---------------------------------
+146: [20:56:08] 	 Github #2246: Use coordMap when starting embedding from random coords
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 Providing a distance bounds matrix.
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 Disabling fragmentation.
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 Using symmetry in conformation pruning.
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 Force trans amides.
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 test missing Hs warning.
+146: [20:56:09] 	---------------------------------
+146: [20:56:09] 	 basic H bond support.
+146: [20:56:09] *******************************************************
+234/235 Test #146: testDistGeomHelpers ....................   Passed   60.98 sec
 173: ===============================================================================
 173: All tests passed (215 assertions in 18 test cases)
 173: 
-234/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed  170.38 sec
-5: [12:12:02] Finished: testMultipleTimes() 
-5: [12:12:02] 
-5: -----------------------------------------
-235/235 Test   #5: testConcurrentQueue ....................   Passed  314.41 sec
+235/235 Test #173: testSynthonSpaceSubstructureSearch .....   Passed   64.27 sec
 
 100% tests passed, 0 tests failed out of 235
 
-Total Test time (real) = 314.56 sec
+Total Test time (real) =  66.43 sec
 make[2]: Leaving directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
    create-stamp debian/debhelper-build-stamp
@@ -35292,7 +35329,7 @@
    debian/rules override_dh_auto_install
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_auto_install
-	cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/rdkit-202409.6/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+	cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/rdkit-202409.6/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
 make[2]: Entering directory '/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu'
 /usr/bin/cmake -S/build/reproducible-path/rdkit-202409.6 -B/build/reproducible-path/rdkit-202409.6/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0
 make  -f CMakeFiles/Makefile2 preinstall
@@ -35303,1278 +35340,1278 @@
 /usr/bin/cmake -P cmake_install.cmake
 -- Install configuration: "None"
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/conftest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDRandom.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/cactvs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/listutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/retest.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw_qax.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/fileutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/spiral.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/TestRunner.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/DSViewer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Randomize.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Generate.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Matcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateHeterocycles.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors3D.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BuildFragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ReducedGraphs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SATIS.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasTools.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/AtomTypes.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState_VSA.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/Fingerprinter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalFeatures.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PyMol.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SpacialScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateStereoisomers.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/ScaffoldNetwork.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Scaffolds/MurckoScaffold.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_sa.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_orig.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TorsionFingerprints.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/GraphDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Lipinski.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fragments.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SaltRemover.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Graphs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasTools.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasPatcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/QED.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Torsions.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Pairs.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Sheridan.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AtomPairs/Pairs.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BRICS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ReducedGraphs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/QED.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AllChem.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TorsionFingerprints.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FilterCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/GraphDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Crippen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Lipinski.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalForceFields.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentMatcher.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PropertyMol.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FunctionalGroups.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/RegistrationHash.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/ChEMBL_quinolones.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/github4823.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/rdkit-structure-renderer.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatFinderCLI.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fraggle/FraggleSim.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/MolDrawing.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/FreeSans.ttf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/IPythonConsole.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/BuildFragmentCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FunctionalGroups.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/nbtests/github4823.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors3D.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ShowMols.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/demoCombined.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeBuilder.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeObjects.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/BuilderUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Subshape/SubshapeAligner.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ShowMols.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolSurf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SpacialScore.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/RegistrationHash.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/TemplateAlign.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Randomize.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FilterCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Crippen.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentMatcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Recap.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapPoint.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapParser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMaps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FeatMaps/FeatMapUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolCatalog.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FastSDMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolStandardize/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalForceFields.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SATIS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MACCSkeys.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SimpleEnum/Enumerator.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Utils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Generate.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/LazyGenerator.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Gobbi_Pharm2D.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/SigFactory.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm2D/Matcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PandasPatcher.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PropertyMol.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/SDFToCSV.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/DescriptorUtilities.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/TemplateExpand.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/BulkTester.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemUtils/AlignDepict.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/PyMol.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/ChemicalFeatures.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/inchi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState_VSA.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/AtomTypes.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/Fingerprinter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EState/EState.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/EnumerateStereoisomers.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/DbFpSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/ClusterMols.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/SimilarityScreener.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/MolSimilarity.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fingerprints/FingerprintMols.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/ShowFeats.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/DSViewer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FragmentCatalog.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MACCSkeys.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/FastSDMolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/fmcs/fmcs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/AllChem.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/ExcludedVolume.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/EmbedLib.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Pharm3D/Pharmacophore.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MCS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/DbMolSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Suppliers/MolSupplier.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/InchiInfo.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/MolKey.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/ShowFeats.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Features/FeatDirUtilsRD.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbConnection.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbInfo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbModule.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbResultSet.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/StorageUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDLogger.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DistanceGeometry/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/pytest.ini
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Geometry/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolKey/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Graphs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolSurf.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/SaltRemover.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Fragments.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/IPythonConsole.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/MolDrawing.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/FreeSans.ttf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/SimilarityMaps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Draw/InteractiveRenderer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/Recap.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/inchi.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/FingerprintUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_sa.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Chem/MolDb/Loader_orig.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Stats.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/MLData.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Quantize.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/DataUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/SplitData.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Transforms.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/FindQuantBounds.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/MLData.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/SplitData.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Data/Quantize.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/files.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/Risk.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/Scoring.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Descriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Parser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/MoleculeDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/CompoundDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/VoteImg.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/SLT/Risk.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Descriptors/Descriptors.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/entropy.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitRank.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitClusterer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/InfoTheory/BitRank.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/VoteImg.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MLUtils/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MatOps.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterVis.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/murtagh_test.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clusters.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Resemblance.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterUtils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Murtagh.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Clusters.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Standardize.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Resemblance.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/murtagh_test.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/ClusterVis.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Cluster/Butina.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/MatOps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/files.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ML/Scoring/Scoring.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Filter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Output.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Node.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Transform.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Supply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/demo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SDSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/LazySignature.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsemble.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitUtils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/TopNContainer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/VectCollection.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsembleDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/HierarchyVis.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDRandom.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/TestRunner.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDConfig.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/fileutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw_qax.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/cactvs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/retest.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemdraw.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/listutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/spiral.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/utils/chemutils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgeom.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfdoc.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pidPDF.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfutils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/pidReportLab.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/HTMLPiddler.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/psmetrics.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/fontinfo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/latin1MetricsCache.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/pidPS.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pid.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pidtest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pstests.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/testallps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/pidSVG.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/pidPyart.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/Fontmapping.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/utils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/stringformat.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/colors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pidPIL.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-14.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-10.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-10.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pil
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pbm
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-18.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-8.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-8.pbm
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-10.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-24.pil
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfutils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfdoc.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfmetrics.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pidPDF.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgeom.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PDF/pdfgen.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil.1
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/metrics.dat
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-24.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-bold-24.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-bold-8.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/removemedium.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-18.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/times-10.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-14.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-12.pbm
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/courier-bold-12.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/helvetica-14.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PIL/pilfonts/symbol-18.pil
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pagesizes.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt4.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Qt/pidQt.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/fontinfo.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/psmetrics.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/latin1MetricsCache.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/PS/pidPS.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/SVG/pidSVG.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/formatted-strings.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1.1.diff
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/patches/Imaging-1.1-fixplugin-path
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/TK/pidTK.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pstests.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/testallps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/tests/pidtest.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWX.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWxDc.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/WX/pidWX.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pagesizes.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/pidPyart.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/Pyart/Fontmapping.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/util/HTMLPiddler.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/colors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvas-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/tkCanvasPIL-with-scrollbars.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/examples/formatted-strings.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/utils.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/pid.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/sping/ReportLab/pidReportLab.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Numerics/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/HierarchyVis.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/VectCollection.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/TopNContainer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/LazySignature.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsemble.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataStructs/BitEnsembleDb.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Avalon/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/ForceField/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Transform.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Supply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Node.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbPickleSupplier.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/demo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsRemover.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesDupeFilter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/DbMolSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SDSupply.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmartsMolFilter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/NodeLib/SmilesOutput.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Output.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/VLib/Filter.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDConfig.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbResultSet.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbInfo.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbModule.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbConnection.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/DbUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/Dbase/StorageUtils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/Metric/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/DataManip/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/RDLogger.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/conftest.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/SimilarityPickers.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/python3.13/site-packages/rdkit/SimDivFilters/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Crippen.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/rddata.sql
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5k.tpsa.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.tpsa.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_5K.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/NCI/first_200.props.sdf
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Amadeus.ttf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/amadeus_font_license.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/font_dumper.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/telex_font_license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/Telex-Regular.ttf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Fonts/roboto_regular_license.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FragmentDescriptors.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/mols.1000.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/bench2.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/tests/fps.1000.counts.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/patty_rules.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/SmartsLib/RLewis_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/wehi_mols.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/test_set3.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/test_data/run_tests.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Pains/wehi_pains.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/rddata.sql
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Salts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Functional_Group_Hierarchy.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/FunctionalGroups.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/validate.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Model.dtd
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/DTDs/RD_Dataset.dtd
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDData.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/BaseFeatures.fdef
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.chk
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.opt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/struchk/checkfgs.trn
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/RDTests.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Data/Crippen.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_Correlation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_CorrMat.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/DrugLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/FragmentLikeT80_CorrMat.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/LeadLikeT80_Correlation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/Descriptors/Correlations/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/ForceFieldTerms.new.odt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Analysis/ForceField/UFF Parameters.ods
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-example-lactam.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/MolStandardize.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GA.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-DummyCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/FingerprintGenerators.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/compounds.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-RingSubstitution.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-GenericCores.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-Tests.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-StereoChemTest.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Notebooks/RGroupDecomposition-MutipleCores.ipynb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo_plain.inkscape.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.lrg.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.inkscape.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/wiki/morganfp_atomenv1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Images/logo.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/FragmentCatalogs.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.ai
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.ai
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.triangles.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/Chem/Pharm2D.signatures.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_expand.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_expand.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_trans_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_expand.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_and2_expand.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_cis_base.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_or2_base.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/gsocGeneralFileReader.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/EnhancedStereo.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/CIPLabeling.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/SGroups.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_database_cartridge_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/RDKit_cookbook_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/conf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Installation_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/index.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Makefile
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/The_RDKit_Book_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/terminology_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Backwards_incompatible_changes_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_40.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_61.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_47.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_31.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_50.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_26.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_29.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_43.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_53.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_58.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_52.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_39.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_51.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_13.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_37.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_41.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_18.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_42.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_17.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_24.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_19.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_28.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_21.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_33.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_22.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_49.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_48.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_59.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_25.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_57.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_11.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_27.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_10.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_12.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_55.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_23.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_35.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_8.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_46.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_16.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_32.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_30.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_20.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_60.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_54.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_56.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_45.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_7.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_14.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_38.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_36.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_62.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_15.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_44.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_34.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/supple_images/jp_supple_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Getting_Started_with_RDKit_in_Python_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/introduction_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/An_overview_of_the_RDKit_jp.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book_jp/Supplementary_Text_jp.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_or1_cis_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_and1_trans_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_or_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Code/images/enhanced_stereo_abs_and_base.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/RD.css
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/exts/extapi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/index.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Install.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BuildFragmentCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbMolSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Sheridan.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.TemplateExpand.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.SDFToCSV.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Quantize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Parser.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSynthonSpaceSearch.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDetermineBonds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Sheridan.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rdAlignment.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFingerprintGenerator.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rdMolStandardize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clustering.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BRICS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdRGroupDecomposition.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSynthonSpaceSearch.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FastSDMolSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.DataUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolCatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.FraggleSim.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolEnumerator.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MatOps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TemplateAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rdScaffoldNetwork.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rdGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors3D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Murtagh.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.SplitData.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalFeatures.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.TopNContainer.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.cDataStructs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.SimilarityPickers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rdMolStandardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.cactvs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.DbMolSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.TemplateExpand.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeAlign.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.fileutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AllChem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeObjects.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SDSupply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdqueries.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SaltRemover.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rdBase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Supply.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BuildFragmentCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.FingerprintUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.listutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.SigFactory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMHFPFingerprint.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbPickleSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdReducedGraphs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.AlignDepict.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemicalForceFields.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.cDataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.chemutils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesDupeFilter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbResultSet.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.FingerprintMols.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Numerics.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDRandom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Output.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PeriodicTable.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Gobbi_Pharm2D.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.LazySignature.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PandasTools.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ReducedGraphs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.MoleculeDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdPartialCharges.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FilterCatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rdForceField.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rdMetricMatrixCalc.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Transforms.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsembleDb.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PyMol.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rdSimDivPickers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.EmbedLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.Parser.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Graphs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2DQt.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_sa.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsMolFilter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.MolDrawing.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.Pharmacophore.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ShowMols.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeAligner.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Randomize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.MolSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbConnection.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.IPythonConsole.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Descriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.VectCollection.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.MLUtils.VoteImg.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FragmentMatcher.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolKey.InchiInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSubstructLibrary.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.SimDivFilters.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Standardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Suppliers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateHeterocycles.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolfiles.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolSurf.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolTransforms.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFMCS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rdForceField.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeObjects.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolHash.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.cQuantize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdForceFieldHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.SDFToCSV.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDConfig.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolDescriptors.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.BRICS.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SpacialScore.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Stats.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDepictor.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Clusters.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMMPA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Node.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemReactions.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.entropy.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.Fingerprinter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.inchi.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Pairs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitRank.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Utils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapPoint.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdTautomerQuery.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.PropertyMol.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ForceField.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolInterchange.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdSLNParse.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.GraphDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EnumerateStereoisomers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesDupeFilter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolChemicalFeatures.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SATIS.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.ClusterMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdmolops.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Filter.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdchem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbInfo.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.Risk.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fraggle.FraggleSim.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.SimilarityScreener.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolDb.Loader_orig.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.FindQuantBounds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.FeatDirUtilsRD.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbModule.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdEHTTools.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.BulkTester.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitEnsemble.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatFinderCLI.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.SimpleEnum.Enumerator.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmartsRemover.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Recap.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdinchi.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.rdMolDraw2D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MACCSkeys.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AtomPairs.Torsions.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfiltercatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdFreeSASA.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdDeprotect.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.BuilderUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Subshape.SubshapeBuilder.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Crippen.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.DbMolSupply.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.DistGeom.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDLogger.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Matcher.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.fmcs.fmcs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.Transform.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.ClusterVis.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Lipinski.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDPaths.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FeatMaps.FeatMapParser.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataManip.Metric.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Butina.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Descriptors.CompoundDescriptors.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ShowMols.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.SLT.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.TorsionFingerprints.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesOutput.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdtrajectory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Features.ShowFeats.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Draw.SimilarityMaps.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCoordGen.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdAbbreviations.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DistanceGeometry.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.files.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdCIPLabeler.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.MolStandardize.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.DbFpSupplier.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.RegistrationHash.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdChemicalFeatures.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Cluster.Resemblance.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdShapeHelpers.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdfragcatalog.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.FunctionalGroups.rst
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.BitClusterer.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.QED.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.EState_VSA.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.SmilesSupply.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.TestRunner.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.RDRandom.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm3D.ExcludedVolume.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fragments.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.DescriptorUtilities.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.rdMolAlign.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.StorageUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.EState.AtomTypes.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Pharm2D.Generate.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.DataStructs.BitUtils.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.Scoring.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.VLib.NodeLib.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.AllChem.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/cdk2.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/invalid.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/input.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.test.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/MinimalFeatures.fdef
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/AmideBond.rxn
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/solubility.train.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/bzr.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/s1p_chembldoc89753.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/5ht3ligs.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/chiral.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/test_multi_colours.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/actives_5ht3.sdf.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/data/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Dbase.DbUtils.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Avalon.pyAvalonTools.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.Quantize.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Scoring.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.Data.MLData.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.utils.spiral.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Fingerprints.MolSimilarity.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.ChemUtils.AlignDepict.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Chem.Scaffolds.MurckoScaffold.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.ML.InfoTheory.rdInfoTheory.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/source/rdkit.Geometry.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example8.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example11.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example9.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example17.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example1.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example3.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example4.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example13.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example6.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example12.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example15.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example5.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example16.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example10.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example2.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/FindMyRDKit.cmake
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example14.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/C++Examples/example7.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Makefile
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/conf.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/api-docs.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cookbook.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedWithContributing.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Overview.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInC++.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/Cartridge.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/BackwardsIncompatibleChanges.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/RDKit_Book.rst
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/RD.css
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/GettingStartedInPython.rst
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid_aligned.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_rf.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_19_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_crippen.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_missing1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_molgrid.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_8_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/style.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_32_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/cdk2_mol1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_36_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/substruct_search_parameters1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_charges.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_tb1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_40_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/indole1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_38_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/potential_stereo_double_bond1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_8.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_11.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_ex1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_annotation_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_29_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mfp2_bit872.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_7.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdkit_fork_clone.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/pull_req1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molE.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/reaction1_highlight.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/rdk_bit1553_2.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_35_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_33_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im6.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_atoms.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/ary_group.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_15_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_39_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molA.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_example4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_3_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/parastereo_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_17_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/Cc1ccccc1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_30_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im2.svg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_20_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/stereo_annotation.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molF.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molB.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_23_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_6_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_37_im0.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_10.jpg
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/similarity_map_fp2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molG.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mcs_example_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_1_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_2_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/query_bonds.2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_22_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_12.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/mol_metadata1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_labels_3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molD.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_oh1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_7_im4.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_13_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/nontetstereo_sp3.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_21_im5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/EnhancedStereoSSS_molC.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atom_highlights_2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_0_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_34_im2.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/RDKitCB_28_im1.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/picture_5.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Docs/Book/images/atrop_representation1.png
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3w2c_N15.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_renamed.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_ACP_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_3w2p_1C9_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i23_1C9.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4i24_1C9.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/lig_crystal_aligned.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_AKI_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/JVE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_2.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/AKI_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/BEG_test.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dpv.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/crystal_aligned.pdb
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_JVE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_N15_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1C9_renamed.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_crystal_aligned_1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/5dt0.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/ACP_crystal_aligned_1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/N15_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/6c83.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/SKE_renamed.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/docked_2c6e_SKE_pH74_netcharge1.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/3m11_AKI.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/1d4i_BEG.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/4uzh_JVE.pdb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/data/aurka_protein_2c6e.pdb
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/CalcLigRMSD.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/SubstructureFilter_HitTriaging_wPubChemExamples.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/FilterSet_NIBR2019_wPubChemExamples.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/assignSubstructureFilters.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/filterExamples.png
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/examples/chembl24_structs_randomtestSample_100_out.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NIBRSubstructureFilters/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/AtomAtomSimilarity/AtomAtomPathSimilarity.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/BEG.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/6c83_complex.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/N15.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/5dpv_complex.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/AKI.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/1C9.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/figures/JVE.png
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CalcLigRMSD/Examples_CalcLigRMSD.ipynb
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.sdf
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/testData/egfr.out
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/demo.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/Makefile
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/PBFRDKit.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/pbf.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/PBF/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/try_efgs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/ch33query.sql
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/efgs.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/efgs/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/ifg.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/IFG/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/MolVS/molvs_cli.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/CMakeLists.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/identifyReactants.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/utils.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/RxnRoleAssignment/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePredict.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/CreateFps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/DistancePlot.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/ClusterFps.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/LEF/AddLabels.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/final_fraggle_results.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/atomcontrib.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/fragmentation_tversky_out
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/ChEMBL_11265_actives.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/data/query_fragmentation.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/fraggle.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/cxn_tversky.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/ChiralDescriptors.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ChiralPairs/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/rdkit_tversky.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/fraggle/readme.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.html
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/p_con.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/pzc/readme.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/sdf2smi.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/converted.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/testdata/cdk2.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered_parse.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fastcluster.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/clustered.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/centroid.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/fp.tsv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Fastcluster/cdk2.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/cansmirk.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym_maxheavy.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_sym.csv
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mol_trans_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxheavy.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_default.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks_mol_trans.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_smarts_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_trans_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_cansmirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_mmps_maxratio.csv
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs_smarts.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_smi_output.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/test_rfrag.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_fragmented.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smiles_mol_trans.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_transfroms.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_smirks.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_trans_smarts.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_smi.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_input_subs.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/simple.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/data/sample_db_search_subs_smart_output.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/indexing.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/search_mmp_db.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/rfrag.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/mol_transform.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/create_mmp_db.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/mmpa/README.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/Frames.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/BaseFeatures_DIP2_NoMicrospecies.fdef
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/M_Kossner/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/glare.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/Glare/README.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/publicnp.model.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/npscorer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/NP_Score/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/fpscores.pkl.gz
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/build_sascore_db.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/data/zim.100.txt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/sascorer.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/README
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/SA_Score/UnitTestSAScore.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/test.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/CMakeLists.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/testConformerParser.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/Wrap/rdConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.h
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/ConformerParser/ConformerParser.cpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/requirements.txt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_act.csv
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/data/CHEMBL2321810_scaffold.mol
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/test/test_freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/freewilson.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Contrib/FreeWilson/setup.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/pytest.ini
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/stepwise
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Fingerprints.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/loadErrors.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Compounds.sqlt
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr_q1.mol
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.smi
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/pubchem.200.sdf
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/Descriptors.sqlt
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr/AtomPairs.sqlt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.sdf
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/bzr.2.smi
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/testData/README
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/CreateDb.cpython-313.pyc
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/UnitTestDbCLI.cpython-313-pytest-8.3.5.pyc
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/__pycache__/SearchDb.cpython-313.pyc
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/SearchDb.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/CreateDb.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/.gitignore
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/CACHEDIR.TAG
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/nodeids
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/v/cache/stepwise
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/.pytest_cache/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/UnitTestDbCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/DbCLI/moe_like.dsc
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Projects/pytest.ini
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/test.sh
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/README.md
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__main__.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/test.sh
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/FeatFinderCLI.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/clang_worker.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/patch_rdkit_docstrings/__init__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__main__.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/worker.py
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/gen_rdkit_stubs/__init__.py
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/PythonFormat.py
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/create_deb_packages.sh
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/Scripts/README.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/README.md
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/share/RDKit/license.txt
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDInchiLib.so.1.2024.09.6
@@ -36618,12 +36655,12 @@
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/test.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/ConcurrentQueue.h
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
+-- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/hash_float.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/detail/float_functions.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash_fwd.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/hash.hpp
--- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/include/rdkit/RDGeneral/hash/extensions.hpp
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1.2024.09.6
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so.1
 -- Installing: /build/reproducible-path/rdkit-202409.6/debian/tmp/usr/lib/libRDKitRDBoost.so
@@ -37242,6 +37279,8 @@
 make[1]: Entering directory '/build/reproducible-path/rdkit-202409.6'
 dh_python3 -ppython3-rdkit
 I: dh_python3 fs:421: renaming rdBase.so to rdBase.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdAbbreviations.so to rdAbbreviations.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdCIPLabeler.so to rdCIPLabeler.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdChemReactions.so to rdChemReactions.cpython-313-x86_64-linux-gnu.so
@@ -37284,18 +37323,16 @@
 I: dh_python3 fs:421: renaming rdqueries.so to rdqueries.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdtrajectory.so to rdtrajectory.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdScaffoldNetwork.so to rdScaffoldNetwork.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdMolStandardize.so to rdMolStandardize.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming DistGeom.so to DistGeom.cpython-313-x86_64-linux-gnu.so
-I: dh_python3 fs:421: renaming rdGeometry.so to rdGeometry.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdMolDraw2D.so to rdMolDraw2D.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming cQuantize.so to cQuantize.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdInfoTheory.so to rdInfoTheory.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming Clustering.so to Clustering.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdAlignment.so to rdAlignment.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming cDataStructs.so to cDataStructs.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdForceField.so to rdForceField.cpython-313-x86_64-linux-gnu.so
 I: dh_python3 fs:421: renaming rdMetricMatrixCalc.so to rdMetricMatrixCalc.cpython-313-x86_64-linux-gnu.so
+I: dh_python3 fs:421: renaming rdSimDivPickers.so to rdSimDivPickers.cpython-313-x86_64-linux-gnu.so
 dh_numpy3 -ppython3-rdkit
 Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57.
 make[1]: Leaving directory '/build/reproducible-path/rdkit-202409.6'
@@ -37921,45 +37958,45 @@
    dh_strip -a -O--buildsystem=cmake
    dh_makeshlibs -a -O--buildsystem=cmake
    dh_shlibdeps -a -O--buildsystem=cmake
-dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol CurrentMemoryContext: it's probably a plugin
+dpkg-shlibdeps: warning: diversions involved - output may be incorrect
+ diversion by libc6 from: /lib64/ld-linux-x86-64.so.2
+dpkg-shlibdeps: warning: diversions involved - output may be incorrect
+ diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged
+dpkg-shlibdeps: warning: debian/postgresql-17-rdkit/usr/lib/postgresql/17/lib/rdkit.so contains an unresolvable reference to symbol palloc0: it's probably a plugin
 dpkg-shlibdeps: warning: 24 other similar warnings have been skipped (use -v to see them all)
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 from: /lib64/ld-linux-x86-64.so.2
 dpkg-shlibdeps: warning: diversions involved - output may be incorrect
  diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged
+dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyExc_IndexError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyExc_ValueError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyErr_SetString used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol _Py_Dealloc used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyObject_CallFunction used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol _Py_NoneStruct used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyLong_FromUnsignedLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyErr_SetObject used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyExc_RuntimeError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyObject_IsTrue used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
-dpkg-shlibdeps: warning: symbol PyLong_FromLong used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: symbol PyExc_KeyError used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
+dpkg-shlibdeps: warning: symbol PyObject_IsTrue used by debian/librdkit1t64/usr/lib/libRDKitRDBoost.so.1.2024.09.6 found in none of the libraries
 dpkg-shlibdeps: warning: 2 other similar warnings have been skipped (use -v to see them all)
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 from: /lib64/ld-linux-x86-64.so.2
-dpkg-shlibdeps: warning: diversions involved - output may be incorrect
- diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged
    dh_installdeb -O--buildsystem=cmake
    dh_gencontrol -O--buildsystem=cmake
+dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined
 dpkg-gencontrol: warning: Depends field of package rdkit-doc: substitution variable ${shlibs:Depends} used, but is not defined
-dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
 dpkg-gencontrol: warning: Depends field of package librdkit-dev: substitution variable ${shlibs:Depends} used, but is not defined
-dpkg-gencontrol: warning: Depends field of package rdkit-data: substitution variable ${shlibs:Depends} used, but is not defined
+dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
 dpkg-gencontrol: warning: Provides field of package python3-rdkit: substitution variable ${python3:Provides} used, but is not defined
    dh_md5sums -O--buildsystem=cmake
    dh_builddeb -O--buildsystem=cmake
+dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
+dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.6-2_all.deb'.
 dpkg-deb: building package 'python3-rdkit-dbgsym' in '../python3-rdkit-dbgsym_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'python3-rdkit' in '../python3-rdkit_202409.6-2_amd64.deb'.
-dpkg-deb: building package 'rdkit-doc' in '../rdkit-doc_202409.6-2_all.deb'.
-dpkg-deb: building package 'rdkit-data' in '../rdkit-data_202409.6-2_all.deb'.
 dpkg-deb: building package 'librdkit1t64' in '../librdkit1t64_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'librdkit1t64-dbgsym' in '../librdkit1t64-dbgsym_202409.6-2_amd64.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_amd64.deb'.
-dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_amd64.deb'.
 dpkg-deb: building package 'librdkit-dev' in '../librdkit-dev_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit' in '../postgresql-17-rdkit_202409.6-2_amd64.deb'.
+dpkg-deb: building package 'postgresql-17-rdkit-dbgsym' in '../postgresql-17-rdkit-dbgsym_202409.6-2_amd64.deb'.
  dpkg-genbuildinfo --build=binary -O../rdkit_202409.6-2_amd64.buildinfo
  dpkg-genchanges --build=binary -O../rdkit_202409.6-2_amd64.changes
 dpkg-genchanges: info: binary-only upload (no source code included)
@@ -37967,12 +38004,14 @@
 dpkg-buildpackage: info: binary-only upload (no source included)
 dpkg-genchanges: info: not including original source code in upload
 I: copying local configuration
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/1577124/tmp/hooks/B01_cleanup finished
 I: unmounting dev/ptmx filesystem
 I: unmounting dev/pts filesystem
 I: unmounting dev/shm filesystem
 I: unmounting proc filesystem
 I: unmounting sys filesystem
 I: cleaning the build env 
-I: removing directory /srv/workspace/pbuilder/505074 and its subdirectories
-I: Current time: Mon Mar 10 12:17:24 -12 2025
-I: pbuilder-time-stamp: 1741652244
+I: removing directory /srv/workspace/pbuilder/1577124 and its subdirectories
+I: Current time: Mon Apr 13 20:58:34 +14 2026
+I: pbuilder-time-stamp: 1776063514