Diff of the two buildlogs: -- --- b1/build.log 2025-01-23 05:14:32.765060376 +0000 +++ b2/build.log 2025-01-23 05:16:52.830737320 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Tue Feb 24 23:31:49 -12 2026 -I: pbuilder-time-stamp: 1772019109 +I: Current time: Thu Jan 23 19:14:35 +14 2025 +I: pbuilder-time-stamp: 1737609275 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -27,51 +27,83 @@ dpkg-source: info: applying disable_failing_tests.patch I: using fakeroot in build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1680811/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2706479/tmp/hooks/D01_modify_environment starting +debug: Running on infom01-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 Jan 23 05:14 /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/2706479/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2706479/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' + 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=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='amd64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='55ef7221651f495481a06983540b379c' - 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='1680811' - PS1='# ' - PS2='> ' + INVOCATION_ID=f052acb282e74299a5eabb5f364b68b6 + 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=2706479 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.NVtMfzVI/pbuilderrc_65T6 --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.NVtMfzVI/b1 --logfile b1/build.log mopac_23.0.3-1.dsc' - SUDO_GID='109' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' + 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.NVtMfzVI/pbuilderrc_PIS7 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.NVtMfzVI/b2 --logfile b2/build.log mopac_23.0.3-1.dsc' + SUDO_GID=109 + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' I: uname -a - Linux infom02-amd64 6.11.10+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.11.10-1~bpo12+1 (2024-12-19) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-30-cloud-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.124-1 (2025-01-12) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/1680811/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2706479/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -212,7 +244,7 @@ Get: 91 http://deb.debian.org/debian trixie/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 92 http://deb.debian.org/debian trixie/main amd64 python3-pkg-resources all 75.6.0-1 [222 kB] Get: 93 http://deb.debian.org/debian trixie/main amd64 python3-numpy amd64 1:1.26.4+ds-12 [4738 kB] -Fetched 73.1 MB in 1s (87.0 MB/s) +Fetched 73.1 MB in 1s (72.5 MB/s) Preconfiguring packages ... Selecting previously unselected package libpython3.12-minimal:amd64. (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 ... 19856 files and directories currently installed.) @@ -529,8 +561,8 @@ Setting up tzdata (2024b-6) ... Current default time zone: 'Etc/UTC' -Local time is now: Wed Feb 25 11:33:17 UTC 2026. -Universal Time is now: Wed Feb 25 11:33:17 UTC 2026. +Local time is now: Thu Jan 23 05:15:43 UTC 2025. +Universal Time is now: Thu Jan 23 05:15:43 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up autotools-dev (20220109.1) ... @@ -624,7 +656,11 @@ fakeroot is already the newest version (1.36.2-1). 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. I: Building the package -I: Running cd /build/reproducible-path/mopac-23.0.3/ && 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 > ../mopac_23.0.3-1_source.changes +I: user script /srv/workspace/pbuilder/2706479/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/2706479/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/mopac-23.0.3/ && 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 > ../mopac_23.0.3-1_source.changes dpkg-buildpackage: info: source package mopac dpkg-buildpackage: info: source version 23.0.3-1 dpkg-buildpackage: info: source distribution unstable @@ -674,7 +710,7 @@ -- Found OpenMP_Fortran: -fopenmp (found version "4.5") -- Found OpenMP: TRUE (found version "4.5") -- Found Python3: /usr/bin/python3 (found version "3.12.8") found components: Interpreter --- Configuring done (2.9s) +-- Configuring done (1.9s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: @@ -700,118 +736,118 @@ cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color=" Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal". -Scanning dependencies of target mopac-makpol Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal". +Scanning dependencies of target mopac-makpol make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o -[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o +[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o [ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_keywrd.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o -[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o +[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_atomtx.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_ctvec.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_elemts.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_geosym.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_jobnam.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_keywrd.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_sizes.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_symult.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_elemts.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_jobnam.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_systm.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/mod_atomradii.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_titles.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/mod_atomradii.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_systm.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o /usr/bin/cmake -E cmake_copy_f90_mod common_atomtx.mod 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CMakeFiles/mopac-makpol.dir/common_titles.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod common_keywrd.mod CMakeFiles/mopac-makpol.dir/common_keywrd.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod common_systm.mod CMakeFiles/mopac-makpol.dir/common_systm.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod common_jobnam.mod CMakeFiles/mopac-makpol.dir/common_jobnam.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o.provides.build -/usr/bin/cmake -E cmake_copy_f90_mod common_titles.mod CMakeFiles/mopac-makpol.dir/common_titles.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mod_atomradii.mod CMakeFiles/mopac-makpol.dir/mod_atomradii.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod common_systm.mod CMakeFiles/mopac-makpol.dir/common_systm.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o.provides.build [ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -c /build/reproducible-path/mopac-23.0.3/src/makpol/setcuc.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o +[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/maklay.F90.o [ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o -[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection 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object CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/solvation/cosmo_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/maps_C.F90 -o CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/meci_C.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o @@ -819,116 +855,116 @@ [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/journal_references_C.F90 -o CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_INDO_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection 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CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM3_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM3_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM3_Sparkles_C.F90.o [ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_Sparkles_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_Sparkles_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_Sparkles_C.F90 -o 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Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_RM1_Sparkles_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_RM1_Sparkles_C.F90.o +[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_mndo_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_mndo_C.F90.o -[ 11%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o -[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/molmec_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/molmec_C.F90 -o CMakeFiles/mopac-core.dir/src/molmec_C.F90.o -[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o +[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_mndod_C.F90.o +[ 12%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/ef_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/overlaps_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/molmec_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection 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CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o [ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/potentials/rotate_C.F90 -o CMakeFiles/mopac-core.dir/src/potentials/rotate_C.F90.o [ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/polar_C.F90 -o CMakeFiles/mopac-core.dir/src/properties/polar_C.F90.o +[ 13%] Building Fortran object CMakeFiles/mopac-core.dir/src/potentials/esp_C.F90.o +/usr/bin/f95 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CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o +[ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/epseta.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/jab_for_MOZYME.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o [ 14%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock1_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/kab_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/kab_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c 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object CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/fock1.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/copyc6.F90 -o CMakeFiles/mopac-core.dir/src/corrections/copyc6.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/xyzcry.F90 -o CMakeFiles/mopac-core.dir/src/forces/xyzcry.F90.o -[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/fock1.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock1.F90.o -[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o [ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri0.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri0.F90.o +[ 16%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri21.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri21.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/dang.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dang.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/cross.F90 -o CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/volume.F90 -o CMakeFiles/mopac-core.dir/src/geometry/volume.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/digit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/cross.F90 -o CMakeFiles/mopac-core.dir/src/geometry/cross.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/nuchar.F90 -o CMakeFiles/mopac-core.dir/src/input/nuchar.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getval.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getval.F90 -o CMakeFiles/mopac-core.dir/src/input/getval.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/digit.F90 -o CMakeFiles/mopac-core.dir/src/input/digit.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/myword.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getval.F90.o +[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o [ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getval.F90 -o CMakeFiles/mopac-core.dir/src/input/getval.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/helect.F90 -o CMakeFiles/mopac-core.dir/src/integrals/helect.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/coe.F90 -o CMakeFiles/mopac-core.dir/src/integrals/coe.F90.o -[ 17%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/linpack.F90 -o CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/schmib.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmib.F90.o -[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o [ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/linpack.F90 -o CMakeFiles/mopac-core.dir/src/matrix/linpack.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o +[ 18%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o [ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/density_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/density_for_GPU.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mtxmc.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxmc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/densit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/densit.F90.o -[ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mxmt.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxmt.F90.o [ 19%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mat33.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mat33.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mxv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxv.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o [ 20%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mult_symm_AB.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult_symm_AB.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o [ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/supdot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/supdot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/schmit.F90 -o CMakeFiles/mopac-core.dir/src/matrix/schmit.F90.o -[ 21%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mxm.F90.o +[ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o [ 22%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o -[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o +[ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/dot.F90 -o CMakeFiles/mopac-core.dir/src/matrix/dot.F90.o [ 23%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/minv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/minv.F90.o @@ -937,13 +973,13 @@ [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/osinv.F90 -o CMakeFiles/mopac-core.dir/src/matrix/osinv.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o -[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/aabacd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabacd.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/babbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbcd.F90.o +[ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/diagi.F90 -o CMakeFiles/mopac-core.dir/src/meci/diagi.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/exchng.F90 -o CMakeFiles/mopac-core.dir/src/optimization/exchng.F90.o [ 24%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/xxx.F90.o @@ -952,20 +988,20 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/potentials/genun.F90 -o CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o [ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/quadr.F90 -o CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o -[ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o +[ 26%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o [ 27%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/rotmol.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/rotmol.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prttim.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/upcase.F90 -o CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o /usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU [ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o +/usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mozyme_c.mod CMakeFiles/mopac-core.dir/mozyme_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod param_global_c.mod CMakeFiles/mopac-core.dir/param_global_c.mod.stamp GNU -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o /usr/bin/cmake -E cmake_copy_f90_mod iter_c.mod CMakeFiles/mopac-core.dir/iter_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod chanel_c.mod CMakeFiles/mopac-core.dir/chanel_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod atomradii_c.mod CMakeFiles/mopac-core.dir/atomradii_c.mod.stamp GNU @@ -982,10 +1018,7 @@ /usr/bin/cmake -E cmake_copy_f90_mod meci_c.mod CMakeFiles/mopac-core.dir/meci_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod symmetry_c.mod CMakeFiles/mopac-core.dir/symmetry_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod journal_references_c.mod CMakeFiles/mopac-core.dir/journal_references_c.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_c.mod.stamp GNU -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_sparkles_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_indo_c.mod CMakeFiles/mopac-core.dir/parameters_for_indo_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm3_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm3_c.mod.stamp GNU @@ -993,18 +1026,18 @@ /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_sparkles_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_sparkles_c.mod.stamp GNU [ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_c.mod.stamp GNU +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_sparkles_c.mod.stamp GNU -[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o /usr/bin/cmake -E cmake_copy_f90_mod parameters_for_mndo_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndo_c.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_mndod_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndod_c.mod.stamp GNU +[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_TS_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o -[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o [ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_mndod_c.mod CMakeFiles/mopac-core.dir/parameters_for_mndod_c.mod.stamp GNU /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM8_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/molkst_C.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod molmec_c.mod CMakeFiles/mopac-core.dir/molmec_c.mod.stamp GNU @@ -1018,22 +1051,22 @@ /usr/bin/cmake -E cmake_copy_f90_mod polar_c.mod CMakeFiles/mopac-core.dir/polar_c.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/reactions/maps_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/cosmo_C.F90.o.provides.build +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o [ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/CPE_Energy.F90 -o CMakeFiles/mopac-core.dir/src/properties/CPE_Energy.F90.o -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/solvation/afmm_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build [ 30%] Linking Fortran executable mopac-makpol +/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-makpol.dir/link.txt --verbose=1 [ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-makpol.dir/link.txt --verbose=1 [ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_mopac.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o +[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o /usr/bin/f95 -Wl,-z,relro -Wl,--dependency-file=CMakeFiles/mopac-makpol.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-makpol.dir/src/makpol/cell.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/geout.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getpdb.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/getsym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/gettxt.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/haddon.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/maklay.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/makpol.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/maksym.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/mod_atomradii.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/setcuc.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/standard.F90.o" "CMakeFiles/mopac-makpol.dir/src/makpol/symtry.F90.o" -o mopac-makpol -Wl,-rpath,:::::::::::::: make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' [ 30%] Built target mopac-makpol -[ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o [ 30%] Building Fortran object CMakeFiles/mopac-core.dir/src/run_param.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o [ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o @@ -1065,27 +1098,27 @@ [ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/check.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/check.F90.o [ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hbonds.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hbonds.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/buildf.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/buildf.F90.o -[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/setupk.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/setupk.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/setupk.F90.o +[ 34%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/add_more_interactions.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o [ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/isitsc.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o +[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/setupk.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong 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CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/vecprt_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o [ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/outer2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o +[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 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-ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/helecz.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/helecz.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/scfcri.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/pinout.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/pinout.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/pinout.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/scfcri.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/scfcri.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/denrot_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/denrot_for_MOZYME.F90.o +[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o [ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/tidy.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o -[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o [ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/makvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o -[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o [ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/selmos.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o +[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/convert_storage.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o -[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/mlmo.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/mlmo.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/outer1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o [ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o @@ -1132,25 +1165,25 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/adjvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o [ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/MOZYME_eigs.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o -[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o [ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o +[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/extract_parameter.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/psort.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid0.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o [ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid0.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid0.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid1.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o +[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid3.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o -[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/resetp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o +[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/getmol.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o [ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/datinp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/datinp.F90.o @@ -1158,15 +1191,15 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/direct.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/direct.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/parkey.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parkey.F90.o -[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid2.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid2.F90.o +[ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/parfg.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parfg.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/optgeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/optgeo.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/pparsav.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o [ 45%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/pparsav.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pparsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/finish.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/finish.F90.o [ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/depfn.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/depfn.F90.o @@ -1176,35 +1209,35 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/pargeo.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pargeo.F90.o [ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/empire.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/empire.F90.o +[ 46%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/parips.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/parips.F90.o -[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/chkpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o [ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/cnvg.F90 -o CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/resolv.F90 -o CMakeFiles/mopac-core.dir/src/SCF/resolv.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/fock2.F90 -o CMakeFiles/mopac-core.dir/src/SCF/fock2.F90.o +[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/capcor.F90 -o CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o -[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/iter.F90 -o CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o [ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/pulay.F90 -o CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/iter.F90 -o CMakeFiles/mopac-core.dir/src/SCF/iter.F90.o [ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/findn1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o -[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/atomrs.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/atomrs.F90.o -[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o +[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/names.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/names.F90.o +[ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/reseq.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/reseq.F90.o [ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/lewis.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/lewis.F90.o @@ -1213,14 +1246,14 @@ [ 50%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/geochk_bits_2.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_2.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o +[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/greek.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/add_hydrogen_atoms.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/txtype.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o -[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/add_hydrogen_atoms.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/add_hydrogen_atoms.F90.o [ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o [ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/chklew.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/nxtmer.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/nxtmer.F90.o [ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/geochk_bits_1.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o @@ -1245,19 +1278,19 @@ [ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/set_up_dentate.F90 -o CMakeFiles/mopac-core.dir/src/corrections/set_up_dentate.F90.o [ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/gdisp.F90 -o CMakeFiles/mopac-core.dir/src/corrections/gdisp.F90.o -[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/disp_DnX.F90 -o CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/post_scf_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o [ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_Dispersion.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/H_bond_correction_PM6_DH_type.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bond_correction_PM6_DH_type.F90.o -[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o +[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deriv.F90 -o CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o +[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/Hydrogen_bond_corrections.F90 -o CMakeFiles/mopac-core.dir/src/corrections/Hydrogen_bond_corrections.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri1.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri1.F90.o [ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/freqcy.F90.o @@ -1268,11 +1301,11 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dcart.F90 -o CMakeFiles/mopac-core.dir/src/forces/dcart.F90.o [ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deri23.F90 -o CMakeFiles/mopac-core.dir/src/forces/deri23.F90.o +[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o [ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o -[ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dfield.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfield.F90.o [ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/delsta.F90 -o CMakeFiles/mopac-core.dir/src/forces/delsta.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dfock2.F90 -o CMakeFiles/mopac-core.dir/src/forces/dfock2.F90.o [ 58%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/forsav.F90 -o CMakeFiles/mopac-core.dir/src/forces/forsav.F90.o @@ -1298,10 +1331,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/dernvo.F90 -o CMakeFiles/mopac-core.dir/src/forces/dernvo.F90.o [ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/fmat.F90 -o CMakeFiles/mopac-core.dir/src/forces/fmat.F90.o -[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/frame.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/frame.F90 -o CMakeFiles/mopac-core.dir/src/forces/frame.F90.o [ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/deritr.F90 -o CMakeFiles/mopac-core.dir/src/forces/deritr.F90.o +[ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/frame.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/forces/frame.F90 -o CMakeFiles/mopac-core.dir/src/forces/frame.F90.o [ 62%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/gmetry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/gmetry.F90.o [ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/xyzint.F90.o @@ -1310,18 +1343,18 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/bangle.F90 -o CMakeFiles/mopac-core.dir/src/geometry/bangle.F90.o [ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/symtry.F90 -o CMakeFiles/mopac-core.dir/src/geometry/symtry.F90.o -[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o [ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/dihed.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/axis.F90 -o CMakeFiles/mopac-core.dir/src/geometry/axis.F90.o +[ 63%] Building Fortran object CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/geometry/dihed.F90 -o CMakeFiles/mopac-core.dir/src/geometry/dihed.F90.o [ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getsym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getsym.F90 -o CMakeFiles/mopac-core.dir/src/input/getsym.F90.o [ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/readmo.F90 -o CMakeFiles/mopac-core.dir/src/input/readmo.F90.o [ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/gettxt.F90 -o CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o [ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/gettxt.F90 -o CMakeFiles/mopac-core.dir/src/input/gettxt.F90.o [ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getpdb.F90 -o CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o [ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/datin.F90.o @@ -1332,10 +1365,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/geo_ref.F90 -o CMakeFiles/mopac-core.dir/src/input/geo_ref.F90.o [ 66%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getgeo.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeo.F90.o +[ 66%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getgeg.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o [ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrtkey.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/wrtkey.F90 -o CMakeFiles/mopac-core.dir/src/input/wrtkey.F90.o -[ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getgeg.F90 -o CMakeFiles/mopac-core.dir/src/input/getgeg.F90.o [ 67%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/init_filenames.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/init_filenames.F90 -o CMakeFiles/mopac-core.dir/src/input/init_filenames.F90.o [ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/set.F90.o @@ -1369,9 +1402,9 @@ [ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/mecid.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/babbbc.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/partxy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/partxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/partxy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/babbbc.F90 -o CMakeFiles/mopac-core.dir/src/meci/babbbc.F90.o [ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/mecip.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o [ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o @@ -1382,30 +1415,30 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/perm.F90 -o CMakeFiles/mopac-core.dir/src/meci/perm.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/ijkl.F90 -o CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o -[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o [ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/meci.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci.F90.o +[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o [ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o -[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o [ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_mndod.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/ciosci.F90 -o CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o +[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_mndod.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o [ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/refer.F90.o -[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/refer.F90 -o CMakeFiles/mopac-core.dir/src/models/refer.F90.o -[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/calpar.F90.o +[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_mndo.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndo.F90.o +[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/calpar.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/calpar.F90 -o CMakeFiles/mopac-core.dir/src/models/calpar.F90.o +[ 76%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_am1.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o [ 77%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_pm3.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_pm3.F90.o -[ 77%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/alpb_and_xfac_am1.F90 -o CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_am1.F90.o -[ 78%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o -[ 79%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/update.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/nllsq.F90 -o CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o +[ 78%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/update.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/update.F90 -o CMakeFiles/mopac-core.dir/src/models/update.F90.o +[ 79%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/nllsq.F90 -o CMakeFiles/mopac-core.dir/src/optimization/nllsq.F90.o [ 79%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/flepo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/flepo.F90 -o CMakeFiles/mopac-core.dir/src/optimization/flepo.F90.o [ 79%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/linmin.F90.o @@ -1419,9 +1452,9 @@ [ 80%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/dfpsav.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/dfpsav.F90 -o CMakeFiles/mopac-core.dir/src/optimization/dfpsav.F90.o [ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/lbfgs.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/lbfgs.F90 -o CMakeFiles/mopac-core.dir/src/optimization/lbfgs.F90.o [ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/optimization/ef.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/ef.F90 -o CMakeFiles/mopac-core.dir/src/optimization/ef.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/optimization/lbfgs.F90 -o CMakeFiles/mopac-core.dir/src/optimization/lbfgs.F90.o [ 81%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/superd.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/superd.F90 -o CMakeFiles/mopac-core.dir/src/output/superd.F90.o [ 82%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/matout.F90.o @@ -1511,8 +1544,8 @@ [ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/mult33.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/mult33.F90.o [ 91%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o -[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/molsym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/molsym.F90.o +[ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symtrz.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symtrz.F90.o [ 92%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/sympop.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/sympop.F90.o @@ -1526,10 +1559,10 @@ /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charvi.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charvi.F90.o [ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/maksym.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/maksym.F90.o +[ 93%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/vecprt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charmo.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charmo.F90.o -[ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/vecprt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/vecprt.F90.o [ 94%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/wrttxt.F90 -o CMakeFiles/mopac-core.dir/src/utilities/wrttxt.F90.o [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o @@ -1539,31 +1572,32 @@ [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prtgra.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o.provides.build [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/SCF/iter_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chanel_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/atomradii_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/conref_C.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build [ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/funcon_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/H_bonds4.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o -/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_operations.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/journal_references_C.F90.o.provides.build +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_AM1_Sparkles_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_INDO_C.F90.o.provides.build @@ -1590,12 +1624,10 @@ /usr/bin/cmake -E cmake_copy_f90_mod afmm_c.mod CMakeFiles/mopac-core.dir/afmm_c.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod get_det.mod CMakeFiles/mopac-core.dir/get_det.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod radii_c.mod CMakeFiles/mopac-core.dir/radii_c.mod.stamp GNU -/usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_createdestroy.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_createdestroy.smod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_operations.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_operations.smod.stamp GNU -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o.provides.build -[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o.provides.build +[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/switch.F90 -o CMakeFiles/mopac-core.dir/src/models/switch.F90.o /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_TS_C.F90.o.provides.build @@ -1604,20 +1636,24 @@ /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o.provides.build /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o.provides.build -/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_createdestroy.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_createdestroy.smod.stamp GNU [ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/solvation/linear_cosmo.F90 -o CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o.provides.build [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_finalize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_initialize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_finalize.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_saveload.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_finalize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_finalize.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_finalize.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_saveload.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_saveload.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o.provides.build +/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU +/usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU +/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_initialize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_initialize.smod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o.provides.build /usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU @@ -1625,18 +1661,18 @@ /usr/bin/cmake -E cmake_copy_f90_mod cosmo_mini.mod CMakeFiles/mopac-core.dir/cosmo_mini.mod.stamp GNU /usr/bin/cmake -E cmake_copy_f90_mod linear_cosmo.mod CMakeFiles/mopac-core.dir/linear_cosmo.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o [ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o -/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o /usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o +/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o [ 98%] Linking Fortran static library libmopac.a /usr/bin/cmake -P CMakeFiles/mopac-core.dir/cmake_clean_target.cmake /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-core.dir/link.txt --verbose=1 @@ -1656,41 +1692,41 @@ Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac.dir/depend.internal". Scanning dependencies of target mopac -Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". -Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal". +Dependee "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal". Scanning dependencies of target mopac-param make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build -make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build +make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build Scanning dependencies of target mopac-api-test make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[ 98%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o -/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o [ 98%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o -[ 98%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o +[ 98%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o +/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/mopac.F90 -o CMakeFiles/mopac.dir/src/mopac.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o [ 98%] Linking Fortran executable mopac -/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 [ 99%] Linking Fortran executable mopac-param +/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1 /usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1 /usr/bin/cmake -E cmake_copy_f90_mod mopac_api_f.mod CMakeFiles/mopac-api-test.dir/mopac_api_f.mod.stamp GNU /usr/bin/cmake -E touch CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o.provides.build [ 99%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o -[100%] Building Fortran object CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper_internal.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o +[100%] Building Fortran object CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o /usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection -fopenmp -c /build/reproducible-path/mopac-23.0.3/tests/mopac_api_test.F90 -o CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o /usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac-param.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so -make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' /usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -fcf-protection CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so /usr/lib/x86_64-linux-gnu/libblas.so /usr/lib/x86_64-linux-gnu/liblapack.so make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' [100%] Built target mopac-param [100%] Built target mopac /usr/bin/cmake -E cmake_copy_f90_mod mopac_api_c.mod CMakeFiles/mopac-api-test.dir/mopac_api_c.mod.stamp GNU @@ -1791,220 +1827,198 @@ 7: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "convert_an_un-edited_PDB_file.mop" 7: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 7: Test timeout computed to be: 10000000 -10: Tue Feb 24 23:34:20 2026 Job: 'PDB1CBN.ent' started successfully -2: Tue Feb 24 23:34:20 2026 Job: 'Crambin_1SCF' started successfully -10: -10: -10: MOPAC Job: "PDB1CBN.ent" ended normally on Feb 24, 2026, at 23:34. -10: -1: Tue Feb 24 23:34:20 2026 Job: 'port' started successfully -13: Tue Feb 24 23:34:20 2026 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully -12: Tue Feb 24 23:34:20 2026 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully -4: Tue Feb 24 23:34:20 2026 Job: 'Test_XENO' started successfully +7: Thu Jan 23 19:16:14 2025 Job: 'convert_an_un-edited_PDB_file' started successfully +4: Thu Jan 23 19:16:14 2025 Job: 'Test_XENO' started successfully +6: Thu Jan 23 19:16:14 2025 Job: 'convert_an_edited_PDB_file' started successfully +2: Thu Jan 23 19:16:14 2025 Job: 'Crambin_1SCF' started successfully 4: 4: -4: MOPAC Job: "Test_XENO.mop" ended normally on Feb 24, 2026, at 23:34. +4: MOPAC Job: "Test_XENO.mop" ended normally on Jan 23, 2025, at 19:16. 4: -11: Tue Feb 24 23:34:20 2026 Job: 'PDB1EJG.ent' started successfully -23: Tue Feb 24 23:34:20 2026 Job: 'IONIZE' started successfully -7: Tue Feb 24 23:34:20 2026 Job: 'convert_an_un-edited_PDB_file' started successfully 7: 7: -7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Feb 24, 2026, at 23:34. +7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jan 23, 2025, at 19:16. 7: -11: -11: -11: MOPAC Job: "PDB1EJG.ent" ended normally on Feb 24, 2026, at 23:34. -11: -5: Tue Feb 24 23:34:20 2026 Job: 'Test_Hetero_group' started successfully -6: Tue Feb 24 23:34:20 2026 Job: 'convert_an_edited_PDB_file' started successfully - 1/124 Test #7: convert_unedited_pdb ............. Passed 0.36 sec +13: Thu Jan 23 19:16:14 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully +12: Thu Jan 23 19:16:14 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully +10: Thu Jan 23 19:16:14 2025 Job: 'PDB1CBN.ent' started successfully +5: Thu Jan 23 19:16:14 2025 Job: 'Test_Hetero_group' started successfully +6: +6: +6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jan 23, 2025, at 19:16. +6: +23: Thu Jan 23 19:16:14 2025 Job: 'IONIZE' started successfully +1: Thu Jan 23 19:16:14 2025 Job: 'port' started successfully +11: Thu Jan 23 19:16:14 2025 Job: 'PDB1EJG.ent' started successfully + 1/124 Test #7: convert_unedited_pdb ............. Passed 0.15 sec test 8 Start 8: ters_preserved 8: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Check_that_TERs_are_preserved.mop" "Check_TERs.pdb" 8: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 8: Test timeout computed to be: 10000000 - 2/124 Test #4: xeno ............................. Passed 0.37 sec +5: +5: +5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jan 23, 2025, at 19:16. +5: +10: +10: +10: MOPAC Job: "PDB1CBN.ent" ended normally on Jan 23, 2025, at 19:16. +10: + 2/124 Test #4: xeno ............................. Passed 0.17 sec test 9 Start 9: compare_proteins 9: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_two_protein_structures.mop" "Structure-1.txt" "Structure-2.txt" 9: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 9: Test timeout computed to be: 10000000 -5: -6: -6: -6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Feb 24, 2026, at 23:34. -6: -5: -5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Feb 24, 2026, at 23:34. -5: - 3/124 Test #5: hetero_group ..................... Passed 0.46 sec +11: +11: +11: MOPAC Job: "PDB1EJG.ent" ended normally on Jan 23, 2025, at 19:16. +11: +6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 3/124 Test #6: convert_edited_pdb ............... Passed 0.19 sec test 14 Start 14: add-h3 14: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Au_Add-H.mop" 14: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 14: Test timeout computed to be: 10000000 - 4/124 Test #10: pdb1cbn .......................... Passed 0.50 sec + 4/124 Test #5: hetero_group ..................... Passed 0.23 sec test 22 Start 22: locate_ts 22: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Locate_TS.mop" "Cyclobutadiene_1.arc" "Cyclobutadiene_2.arc" 22: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 22: Test timeout computed to be: 10000000 - 5/124 Test #11: pdb1ejg .......................... Passed 0.52 sec +9: Thu Jan 23 19:16:14 2025 Job: 'Compare_two_protein_structures' started successfully +9: +9: +9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jan 23, 2025, at 19:16. +9: +8: Thu Jan 23 19:16:14 2025 Job: 'Check_that_TERs_are_preserved' started successfully +8: +8: +8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jan 23, 2025, at 19:16. +8: + 5/124 Test #10: pdb1cbn .......................... Passed 0.29 sec +test 25 + Start 25: salt2 + +25: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT_2.mop" +25: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +25: Test timeout computed to be: 10000000 + 6/124 Test #11: pdb1ejg .......................... Passed 0.30 sec test 15 Start 15: compare_add-h 15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop" 15: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 15: Test timeout computed to be: 10000000 -6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +14: Thu Jan 23 19:16:14 2025 Job: 'Au_Add-H' started successfully +23: +23: +23: MOPAC Job: "IONIZE.mop" ended normally on Jan 23, 2025, at 19:16. +23: 13: 13: -13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Feb 24, 2026, at 23:34. +13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jan 23, 2025, at 19:16. 13: - 6/124 Test #6: convert_edited_pdb ............... Passed 0.53 sec + 7/124 Test #9: compare_proteins ................. Passed 0.20 sec test 16 Start 16: pdb_compare 16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop" 16: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 16: Test timeout computed to be: 10000000 -23: -23: -23: MOPAC Job: "IONIZE.mop" ended normally on Feb 24, 2026, at 23:34. -23: -15: Tue Feb 24 23:34:20 2026 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully -8: Tue Feb 24 23:34:20 2026 Job: 'Check_that_TERs_are_preserved' started successfully -14: Tue Feb 24 23:34:20 2026 Job: 'Au_Add-H' started successfully -8: -8: -8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Feb 24, 2026, at 23:34. -8: - 7/124 Test #23: ionize ........................... Passed 0.71 sec -test 24 - Start 24: salt - -24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" -24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -24: Test timeout computed to be: 10000000 12: 12: -12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Feb 24, 2026, at 23:34. +12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jan 23, 2025, at 19:16. 12: -9: Tue Feb 24 23:34:20 2026 Job: 'Compare_two_protein_structures' started successfully +25: +25: +25: MOPAC Job: "SALT_2.mop" ended normally on Jan 23, 2025, at 19:16. +25: +14: +14: +14: MOPAC Job: "Au_Add-H.mop" ended normally on Jan 23, 2025, at 19:16. +14: +15: Thu Jan 23 19:16:14 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully + 8/124 Test #8: ters_preserved ................... Passed 0.27 sec +test 27 + Start 27: erratic-1 + +27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "1.0" "erratic1.mop" +27: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +27: Test timeout computed to be: 10000000 15: 15: -15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Feb 24, 2026, at 23:34. +15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jan 23, 2025, at 19:16. 15: -9: -9: -9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Feb 24, 2026, at 23:34. -9: -16: Tue Feb 24 23:34:20 2026 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully -3: Tue Feb 24 23:34:20 2026 Job: 'test_Lewis_for_Proteins' started successfully - 8/124 Test #8: ters_preserved ................... Passed 0.42 sec -test 25 - Start 25: salt2 +3: Thu Jan 23 19:16:14 2025 Job: 'test_Lewis_for_Proteins' started successfully +16: Thu Jan 23 19:16:14 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully + 9/124 Test #23: ionize ........................... Passed 0.53 sec +test 24 + Start 24: salt -25: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT_2.mop" -25: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -25: Test timeout computed to be: 10000000 - 9/124 Test #15: compare_add-h .................... Passed 0.30 sec +24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SALT.mop" +24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +24: Test timeout computed to be: 10000000 +16: +16: +16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jan 23, 2025, at 19:16. +16: + 10/124 Test #25: salt2 ............................ Passed 0.28 sec test 26 Start 26: residues 26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop" 26: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 26: Test timeout computed to be: 10000000 - 10/124 Test #9: compare_proteins ................. Passed 0.43 sec -test 27 - Start 27: erratic-1 - -27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "1.0" "erratic1.mop" -27: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -27: Test timeout computed to be: 10000000 -14: -14: -14: MOPAC Job: "Au_Add-H.mop" ended normally on Feb 24, 2026, at 23:34. -14: -16: -16: -16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Feb 24, 2026, at 23:34. -16: -25: -25: -25: MOPAC Job: "SALT_2.mop" ended normally on Feb 24, 2026, at 23:34. -25: - 11/124 Test #25: salt2 ............................ Passed 0.20 sec + 11/124 Test #15: compare_add-h .................... Passed 0.31 sec test 28 Start 28: erratic-2 28: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "1.0" "erratic2.mop" 28: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 28: Test timeout computed to be: 10000000 - 12/124 Test #16: pdb_compare ...................... Passed 0.47 sec + 12/124 Test #13: add-h2 ........................... Passed 0.63 sec test 29 Start 29: erratic-3 29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "1.0" "erratic3.mop" 29: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 29: Test timeout computed to be: 10000000 -22: -22: -22: MOPAC Job: "Locate_TS.mop" ended normally on Feb 24, 2026, at 23:34. -22: - 13/124 Test #13: add-h2 ........................... Passed 1.10 sec +24: Thu Jan 23 19:16:14 2025 Job: 'SALT' started successfully +28: Thu Jan 23 19:16:14 2025 Job: 'erratic2' started successfully + 13/124 Test #16: pdb_compare ...................... Passed 0.33 sec test 30 Start 30: mopac-api-test 30: Test command: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac-api-test 30: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 30: Test timeout computed to be: 10000000 - 14/124 Test #12: add-h ............................ Passed 1.10 sec -test 17 - Start 17: pdb_compare2 - -17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" -17: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -17: Test timeout computed to be: 10000000 30: Passed API test 1 30: Passed API test 2 30: Passed API test 3 30: Passed API test 4 -28: Tue Feb 24 23:34:21 2026 Job: 'erratic2' started successfully 30: Passed API test 5 - 15/124 Test #22: locate_ts ........................ Passed 0.65 sec -test 18 - Start 18: pdb_compare3 - -18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" -18: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests -18: Test timeout computed to be: 10000000 -24: Tue Feb 24 23:34:21 2026 Job: 'SALT' started successfully 30: Passed API test 6 -30: Passed API test 7 -30: Passed API test 8 -30: Passed API test 9 -26: Tue Feb 24 23:34:21 2026 Job: 'SITE_Individual_residues' started successfully -29: -29: -29: MOPAC Job: "erratic3.mop" ended normally on Feb 24, 2026, at 23:34. -29: +22: +22: +22: MOPAC Job: "Locate_TS.mop" ended normally on Jan 23, 2025, at 19:16. +22: 14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -2245,6 +2259,7 @@ 14: WARNING: numerical mismatch between -9.53337347 on reference line 2860 in /build/reproducible-path/mopac-23.0.3/tests and -9.5315698 on output line 2860 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.88261942 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -8.88163046 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 0.09443301 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and 0.09582129 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +30: Passed API test 7 14: WARNING: numerical mismatch between -11.29865112 on reference line 2862 in /build/reproducible-path/mopac-23.0.3/tests and -11.29876843 on output line 2862 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -9.10304156 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and -9.12445921 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between 1.24455092 on reference line 2863 in /build/reproducible-path/mopac-23.0.3/tests and 1.20276671 on output line 2863 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -2308,85 +2323,106 @@ 14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -19.40086533 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -8.65248411 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -20.48574669 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 16/124 Test #29: erratic-3 ........................ Passed 0.28 sec +30: Passed API test 8 +29: +29: +29: MOPAC Job: "erratic3.mop" ended normally on Jan 23, 2025, at 19:16. +29: +30: Passed API test 9 + 14/124 Test #14: add-h3 ........................... Passed 0.55 sec +test 31 + Start 31: ag20 + +31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20.mop" +31: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev +31: Test timeout computed to be: 10000000 + 15/124 Test #29: erratic-3 ........................ Passed 0.13 sec +test 32 + Start 32: ag20_cis_active + +32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" +32: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev +32: Test timeout computed to be: 10000000 +26: Thu Jan 23 19:16:14 2025 Job: 'SITE_Individual_residues' started successfully + 16/124 Test #22: locate_ts ........................ Passed 0.54 sec +test 33 + Start 33: benzene + +33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "benzene.mop" +33: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev +33: Test timeout computed to be: 10000000 + 17/124 Test #12: add-h ............................ Passed 0.81 sec +test 17 + Start 17: pdb_compare2 + +17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent" +17: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +17: Test timeout computed to be: 10000000 +24: +24: +24: MOPAC Job: "SALT.mop" ended normally on Jan 23, 2025, at 19:16. +24: + 18/124 Test #24: salt ............................. Passed 0.37 sec +test 18 + Start 18: pdb_compare3 + +18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent" +18: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests +18: Test timeout computed to be: 10000000 +17: Thu Jan 23 19:16:14 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully +18: Thu Jan 23 19:16:15 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully +33: +33: +33: MOPAC Job: "benzene.mop" ended normally on Jan 23, 2025, at 19:16. +33: +31: +31: +31: MOPAC Job: "ag20.mop" ended normally on Jan 23, 2025, at 19:16. +31: +26: +26: +26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jan 23, 2025, at 19:16. +26: + 19/124 Test #31: ag20 ............................. Passed 0.35 sec test 19 Start 19: pdb_compare4 19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent" 19: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 19: Test timeout computed to be: 10000000 - 17/124 Test #14: add-h3 ........................... Passed 0.83 sec + 20/124 Test #33: benzene .......................... Passed 0.34 sec test 20 Start 20: pdb_compare5 20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent" 20: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 20: Test timeout computed to be: 10000000 -17: Tue Feb 24 23:34:21 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully -18: Tue Feb 24 23:34:21 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully -24: -24: -24: MOPAC Job: "SALT.mop" ended normally on Feb 24, 2026, at 23:34. -24: -19: Tue Feb 24 23:34:21 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully -20: Tue Feb 24 23:34:21 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully - 18/124 Test #24: salt ............................. Passed 0.98 sec + 21/124 Test #26: residues ......................... Passed 0.56 sec test 21 Start 21: pdb_compare6 21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" 21: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests 21: Test timeout computed to be: 10000000 -26: -26: -26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Feb 24, 2026, at 23:34. -26: +19: Thu Jan 23 19:16:15 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully 17: 17: -17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Feb 24, 2026, at 23:34. +17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jan 23, 2025, at 19:16. 17: - 19/124 Test #26: residues ......................... Passed 1.04 sec -test 31 - Start 31: ag20 - -31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20.mop" -31: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev -31: Test timeout computed to be: 10000000 -19: -19: -19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Feb 24, 2026, at 23:34. -19: -21: Tue Feb 24 23:34:21 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully -20: -20: -20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Feb 24, 2026, at 23:34. -20: +21: Thu Jan 23 19:16:15 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully +20: Thu Jan 23 19:16:15 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully 18: 18: -18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Feb 24, 2026, at 23:34. +18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jan 23, 2025, at 19:16. 18: - 20/124 Test #19: pdb_compare4 ..................... Passed 0.78 sec -test 32 - Start 32: ag20_cis_active - -32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop" -32: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev -32: Test timeout computed to be: 10000000 - 21/124 Test #20: pdb_compare5 ..................... Passed 0.78 sec -test 33 - Start 33: benzene - -33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "benzene.mop" -33: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev -33: Test timeout computed to be: 10000000 - 22/124 Test #18: pdb_compare3 ..................... Passed 0.95 sec + 22/124 Test #17: pdb_compare2 ..................... Passed 0.62 sec test 34 Start 34: co_cas 34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cas.mop" 34: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 34: Test timeout computed to be: 10000000 - 23/124 Test #17: pdb_compare2 ..................... Passed 1.06 sec + 23/124 Test #18: pdb_compare3 ..................... Passed 0.62 sec test 35 Start 35: co_cis @@ -2395,66 +2431,66 @@ 35: Test timeout computed to be: 10000000 34: 34: -34: MOPAC Job: "co_cas.mop" ended normally on Feb 24, 2026, at 23:34. +34: MOPAC Job: "co_cas.mop" ended normally on Jan 23, 2025, at 19:16. 34: - 24/124 Test #34: co_cas ........................... Passed 0.16 sec +19: +19: +19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jan 23, 2025, at 19:16. +19: + 24/124 Test #34: co_cas ........................... Passed 0.17 sec test 36 Start 36: co_cis_2 36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_2.mop" 36: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 36: Test timeout computed to be: 10000000 -31: -31: -31: MOPAC Job: "ag20.mop" ended normally on Feb 24, 2026, at 23:34. -31: - 25/124 Test #31: ag20 ............................. Passed 0.45 sec + 25/124 Test #19: pdb_compare4 ..................... Passed 0.53 sec test 37 Start 37: co_cis_PM7 37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_PM7.mop" 37: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 37: Test timeout computed to be: 10000000 +20: +20: +20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jan 23, 2025, at 19:16. +20: 35: 35: -35: MOPAC Job: "co_cis.mop" ended normally on Feb 24, 2026, at 23:34. +35: MOPAC Job: "co_cis.mop" ended normally on Jan 23, 2025, at 19:16. 35: -36: -36: -36: MOPAC Job: "co_cis_2.mop" ended normally on Feb 24, 2026, at 23:34. -36: -37: - 26/124 Test #35: co_cis ........................... Passed 0.27 sec + 26/124 Test #35: co_cis ........................... Passed 0.15 sec test 38 Start 38: co_cis_active 38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_active.mop" 38: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 38: Test timeout computed to be: 10000000 -33: -33: -33: MOPAC Job: "benzene.mop" ended normally on Feb 24, 2026, at 23:34. -33: -37: -37: MOPAC Job: "co_cis_PM7.mop" ended normally on Feb 24, 2026, at 23:34. -37: -37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 27/124 Test #36: co_cis_2 ......................... Passed 0.18 sec +36: +36: +36: MOPAC Job: "co_cis_2.mop" ended normally on Jan 23, 2025, at 19:16. +36: + 27/124 Test #20: pdb_compare5 ..................... Passed 0.61 sec test 39 Start 39: co_cis_solv 39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_solv.mop" 39: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 39: Test timeout computed to be: 10000000 - 28/124 Test #37: co_cis_PM7 ....................... Passed 0.15 sec +37: +37: +37: MOPAC Job: "co_cis_PM7.mop" ended normally on Jan 23, 2025, at 19:16. +37: +37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 28/124 Test #36: co_cis_2 ......................... Passed 0.15 sec test 40 Start 40: co_cis_tdip 40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_tdip.mop" 40: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 40: Test timeout computed to be: 10000000 - 29/124 Test #33: benzene .......................... Passed 0.39 sec + 29/124 Test #37: co_cis_PM7 ....................... Passed 0.13 sec test 41 Start 41: co_cis_trip @@ -2463,42 +2499,42 @@ 41: Test timeout computed to be: 10000000 38: 38: -38: MOPAC Job: "co_cis_active.mop" ended normally on Feb 24, 2026, at 23:34. +38: MOPAC Job: "co_cis_active.mop" ended normally on Jan 23, 2025, at 19:16. 38: -39: -39: -39: MOPAC Job: "co_cis_solv.mop" ended normally on Feb 24, 2026, at 23:34. -39: - 30/124 Test #38: co_cis_active .................... Passed 0.15 sec + 30/124 Test #38: co_cis_active .................... Passed 0.18 sec test 42 Start 42: co_cis_wrtconf 42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop" 42: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 42: Test timeout computed to be: 10000000 - 31/124 Test #39: co_cis_solv ...................... Passed 0.14 sec +40: +40: +40: MOPAC Job: "co_cis_tdip.mop" ended normally on Jan 23, 2025, at 19:16. +40: +41: +41: +41: MOPAC Job: "co_cis_trip.mop" ended normally on Jan 23, 2025, at 19:16. +41: +39: +39: +39: MOPAC Job: "co_cis_solv.mop" ended normally on Jan 23, 2025, at 19:16. +39: + 31/124 Test #39: co_cis_solv ...................... Passed 0.17 sec test 43 Start 43: co_cisd 43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd.mop" 43: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 43: Test timeout computed to be: 10000000 -40: -40: -40: MOPAC Job: "co_cis_tdip.mop" ended normally on Feb 24, 2026, at 23:34. -40: - 32/124 Test #40: co_cis_tdip ...................... Passed 0.21 sec + 32/124 Test #40: co_cis_tdip ...................... Passed 0.16 sec test 44 Start 44: co_cisd_quin 44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_quin.mop" 44: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 44: Test timeout computed to be: 10000000 -41: -41: -41: MOPAC Job: "co_cis_trip.mop" ended normally on Feb 24, 2026, at 23:34. -41: - 33/124 Test #41: co_cis_trip ...................... Passed 0.24 sec + 33/124 Test #41: co_cis_trip ...................... Passed 0.16 sec test 45 Start 45: co_cisd_solv @@ -2507,147 +2543,147 @@ 45: Test timeout computed to be: 10000000 42: 42: -42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Feb 24, 2026, at 23:34. +42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Jan 23, 2025, at 19:16. 42: -43: -43: -43: MOPAC Job: "co_cisd.mop" ended normally on Feb 24, 2026, at 23:34. -43: - 34/124 Test #42: co_cis_wrtconf ................... Passed 0.17 sec + 34/124 Test #42: co_cis_wrtconf ................... Passed 0.15 sec test 46 Start 46: co_cisd_trip 46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_cisd_trip.mop" 46: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 46: Test timeout computed to be: 10000000 - 35/124 Test #43: co_cisd .......................... Passed 0.18 sec +43: +43: +43: MOPAC Job: "co_cisd.mop" ended normally on Jan 23, 2025, at 19:16. +43: + 35/124 Test #43: co_cisd .......................... Passed 0.15 sec test 47 Start 47: co_extern 47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt" 47: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 47: Test timeout computed to be: 10000000 +44: Spin is incompatible with INDO +44: +44: +44: MOPAC Job: "co_cisd_quin.mop" ended normally on Jan 23, 2025, at 19:16. +44: 45: 45: -45: MOPAC Job: "co_cisd_solv.mop" ended normally on Feb 24, 2026, at 23:34. +45: MOPAC Job: "co_cisd_solv.mop" ended normally on Jan 23, 2025, at 19:16. 45: - 36/124 Test #45: co_cisd_solv ..................... Passed 0.14 sec + 36/124 Test #44: co_cisd_quin ..................... Passed 0.17 sec test 48 Start 48: co_fail 48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_fail.mop" 48: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 48: Test timeout computed to be: 10000000 -44: Spin is incompatible with INDO -44: -44: -44: MOPAC Job: "co_cisd_quin.mop" ended normally on Feb 24, 2026, at 23:34. -44: - 37/124 Test #44: co_cisd_quin ..................... Passed 0.27 sec + 37/124 Test #45: co_cisd_solv ..................... Passed 0.17 sec test 49 Start 49: co_field 49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_field.mop" 49: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 49: Test timeout computed to be: 10000000 -48: FORCE is incompatible with INDO -48: -48: -48: MOPAC Job: "co_fail.mop" ended normally on Feb 24, 2026, at 23:34. -48: -47: -47: -47: MOPAC Job: "co_extern.mop" ended normally on Feb 24, 2026, at 23:34. -47: 46: 46: -46: MOPAC Job: "co_cisd_trip.mop" ended normally on Feb 24, 2026, at 23:34. +46: MOPAC Job: "co_cisd_trip.mop" ended normally on Jan 23, 2025, at 19:16. 46: - 38/124 Test #47: co_extern ........................ Passed 0.24 sec + 38/124 Test #46: co_cisd_trip ..................... Passed 0.16 sec test 50 Start 50: co_mrci 50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci.mop" 50: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 50: Test timeout computed to be: 10000000 - 39/124 Test #48: co_fail .......................... Passed 0.17 sec +47: +47: +47: MOPAC Job: "co_extern.mop" ended normally on Jan 23, 2025, at 19:16. +47: +49: +49: +49: MOPAC Job: "co_field.mop" ended normally on Jan 23, 2025, at 19:16. +49: +48: FORCE is incompatible with INDO +48: +48: +48: MOPAC Job: "co_fail.mop" ended normally on Jan 23, 2025, at 19:16. +48: + 39/124 Test #49: co_field ......................... Passed 0.13 sec test 51 Start 51: co_mrci_maxci 51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop" 51: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 51: Test timeout computed to be: 10000000 - 40/124 Test #46: co_cisd_trip ..................... Passed 0.28 sec + 40/124 Test #47: co_extern ........................ Passed 0.18 sec test 52 Start 52: co_mrci_solv 52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop" 52: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 52: Test timeout computed to be: 10000000 -49: -49: -49: MOPAC Job: "co_field.mop" ended normally on Feb 24, 2026, at 23:34. -49: - 41/124 Test #49: co_field ......................... Passed 0.21 sec + 41/124 Test #48: co_fail .......................... Passed 0.17 sec test 53 Start 53: co_pm7 53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7.mop" 53: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 53: Test timeout computed to be: 10000000 -51: -51: -51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Feb 24, 2026, at 23:34. -51: -52: -52: -52: MOPAC Job: "co_mrci_solv.mop" ended normally on Feb 24, 2026, at 23:34. -52: - 42/124 Test #51: co_mrci_maxci .................... Passed 0.29 sec +50: +50: +50: MOPAC Job: "co_mrci.mop" ended normally on Jan 23, 2025, at 19:16. +50: + 42/124 Test #50: co_mrci .......................... Passed 0.17 sec test 54 Start 54: co_pm7_solv 54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_pm7_solv.mop" 54: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 54: Test timeout computed to be: 10000000 - 43/124 Test #52: co_mrci_solv ..................... Passed 0.27 sec +53: +53: +53: MOPAC Job: "co_pm7.mop" ended normally on Jan 23, 2025, at 19:16. +53: +53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 43/124 Test #53: co_pm7 ........................... Passed 0.13 sec test 55 Start 55: co_print 55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "co_print.mop" 55: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 55: Test timeout computed to be: 10000000 -53: -53: -53: MOPAC Job: "co_pm7.mop" ended normally on Feb 24, 2026, at 23:34. -53: -53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -50: -50: -50: MOPAC Job: "co_mrci.mop" ended normally on Feb 24, 2026, at 23:34. -50: - 44/124 Test #53: co_pm7 ........................... Passed 0.27 sec +51: +51: +51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jan 23, 2025, at 19:16. +51: +52: +52: +52: MOPAC Job: "co_mrci_solv.mop" ended normally on Jan 23, 2025, at 19:16. +52: + 44/124 Test #51: co_mrci_maxci .................... Passed 0.21 sec test 56 Start 56: no_cis_quar 56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "no_cis_quar.mop" 56: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 56: Test timeout computed to be: 10000000 - 45/124 Test #50: co_mrci .......................... Passed 0.48 sec +54: +54: +54: MOPAC Job: "co_pm7_solv.mop" ended normally on Jan 23, 2025, at 19:16. +54: + 45/124 Test #52: co_mrci_solv ..................... Passed 0.20 sec test 57 Start 57: no_mrci 57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "no_mrci.mop" 57: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 57: Test timeout computed to be: 10000000 -54: -54: -54: MOPAC Job: "co_pm7_solv.mop" ended normally on Feb 24, 2026, at 23:34. -54: 54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 46/124 Test #54: co_pm7_solv ...................... Passed 0.27 sec + 46/124 Test #54: co_pm7_solv ...................... Passed 0.15 sec test 58 Start 58: noparam @@ -2655,22 +2691,22 @@ 58: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 58: Test timeout computed to be: 10000000 55: WARNING: Specified print options may not behave as expected with INDO -56: -56: -56: MOPAC Job: "no_cis_quar.mop" ended normally on Feb 24, 2026, at 23:34. -56: 55: 55: -55: MOPAC Job: "co_print.mop" ended normally on Feb 24, 2026, at 23:34. +55: MOPAC Job: "co_print.mop" ended normally on Jan 23, 2025, at 19:16. 55: - 47/124 Test #56: no_cis_quar ...................... Passed 0.26 sec + 47/124 Test #55: co_print ......................... Passed 0.20 sec test 59 Start 59: poly_c8 59: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "poly_c8.mop" 59: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/INDO-dev 59: Test timeout computed to be: 10000000 - 48/124 Test #55: co_print ......................... Passed 0.43 sec +56: +56: +56: MOPAC Job: "no_cis_quar.mop" ended normally on Jan 23, 2025, at 19:16. +56: + 48/124 Test #56: no_cis_quar ...................... Passed 0.19 sec test 60 Start 60: poly_c8_mr @@ -2679,20 +2715,20 @@ 60: Test timeout computed to be: 10000000 58: 58: -58: MOPAC Job: "noparam.mop" ended normally on Feb 24, 2026, at 23:34. +58: MOPAC Job: "noparam.mop" ended normally on Jan 23, 2025, at 19:16. 58: - 49/124 Test #58: noparam .......................... Passed 0.25 sec +57: +57: +57: MOPAC Job: "no_mrci.mop" ended normally on Jan 23, 2025, at 19:16. +57: + 49/124 Test #58: noparam .......................... Passed 0.20 sec test 61 Start 61: key-ampersand 61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ampersand.mop" 61: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 61: Test timeout computed to be: 10000000 -57: -57: -57: MOPAC Job: "no_mrci.mop" ended normally on Feb 24, 2026, at 23:34. -57: - 50/124 Test #57: no_mrci .......................... Passed 0.42 sec + 50/124 Test #57: no_mrci .......................... Passed 0.25 sec test 62 Start 62: key-plus @@ -2701,11 +2737,11 @@ 62: Test timeout computed to be: 10000000 21: 21: -21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Feb 24, 2026, at 23:34. +21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jan 23, 2025, at 19:16. 21: 61: 61: -61: MOPAC Job: "ampersand.mop" ended normally on Feb 24, 2026, at 23:34. +61: MOPAC Job: "ampersand.mop" ended normally on Jan 23, 2025, at 19:16. 61: 61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -2713,117 +2749,115 @@ 61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 51/124 Test #61: key-ampersand .................... Passed 0.30 sec +62: +62: +62: MOPAC Job: "plus.mop" ended normally on Jan 23, 2025, at 19:16. +62: + 51/124 Test #21: pdb_compare6 ..................... Passed 1.71 sec + 52/124 Test #61: key-ampersand .................... Passed 0.15 sec test 63 Start 63: key-plusplus 63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "plusplus.mop" 63: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 63: Test timeout computed to be: 10000000 -62: -62: -62: MOPAC Job: "plus.mop" ended normally on Feb 24, 2026, at 23:34. -62: -62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 52/124 Test #21: pdb_compare6 ..................... Passed 2.50 sec test 64 Start 64: key-0SCF 64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "0SCF.mop" 64: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 64: Test timeout computed to be: 10000000 - 53/124 Test #62: key-plus ......................... Passed 0.31 sec +62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 53/124 Test #62: key-plus ......................... Passed 0.19 sec test 65 Start 65: key-1ELECTRON 65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "1ELECTRON.mop" 65: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 65: Test timeout computed to be: 10000000 +32: +32: +32: MOPAC Job: "ag20_cis_active.mop" ended normally on Jan 23, 2025, at 19:16. +32: +65: +65: +65: MOPAC Job: "1ELECTRON.mop" ended normally on Jan 23, 2025, at 19:16. +65: +65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 63: 63: -63: MOPAC Job: "plusplus.mop" ended normally on Feb 24, 2026, at 23:34. +63: MOPAC Job: "plusplus.mop" ended normally on Jan 23, 2025, at 19:16. 63: -63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 54/124 Test #63: key-plusplus ..................... Passed 0.30 sec + 54/124 Test #32: ag20_cis_active .................. Passed 2.29 sec test 66 Start 66: key-1SCF 66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "1SCF.mop" 66: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 66: Test timeout computed to be: 10000000 -64: -64: -64: MOPAC Job: "0SCF.mop" ended normally on Feb 24, 2026, at 23:34. -64: -64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: -65: -65: MOPAC Job: "1ELECTRON.mop" ended normally on Feb 24, 2026, at 23:34. -65: - 55/124 Test #64: key-0SCF ......................... Passed 0.30 sec +63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 55/124 Test #65: key-1ELECTRON .................... Passed 0.18 sec test 67 Start 67: key-A0 67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "A0.mop" 67: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 67: Test timeout computed to be: 10000000 -65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 56/124 Test #65: key-1ELECTRON .................... Passed 0.34 sec + 56/124 Test #63: key-plusplus ..................... Passed 0.24 sec +64: +64: +64: MOPAC Job: "0SCF.mop" ended normally on Jan 23, 2025, at 19:16. +64: test 68 Start 68: key-AIGIN 68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AIGIN.mop" 68: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 68: Test timeout computed to be: 10000000 -66: -66: -66: MOPAC Job: "1SCF.mop" ended normally on Feb 24, 2026, at 23:34. -66: -66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 57/124 Test #66: key-1SCF ......................... Passed 0.26 sec +64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 57/124 Test #64: key-0SCF ......................... Passed 0.28 sec test 69 Start 69: key-AIGOUT 69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AIGOUT.mop" 69: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 69: Test timeout computed to be: 10000000 -67: -67: -67: MOPAC Job: "A0.mop" ended normally on Feb 24, 2026, at 23:34. -67: -67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 58/124 Test #67: key-A0 ........................... Passed 0.28 sec +66: +66: +66: MOPAC Job: "1SCF.mop" ended normally on Jan 23, 2025, at 19:16. +66: +66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 58/124 Test #66: key-1SCF ......................... Passed 0.13 sec test 70 Start 70: key-ALLBONDS 70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ALLBONDS.mop" 70: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 70: Test timeout computed to be: 10000000 -68: -68: -68: MOPAC Job: "AIGIN.mop" ended normally on Feb 24, 2026, at 23:34. -68: -68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 59/124 Test #68: key-AIGIN ........................ Passed 0.33 sec +67: +67: +67: MOPAC Job: "A0.mop" ended normally on Jan 23, 2025, at 19:16. +67: +67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 59/124 Test #67: key-A0 ........................... Passed 0.18 sec test 71 Start 71: key-ALLVEC @@ -2832,56 +2866,56 @@ 71: Test timeout computed to be: 10000000 69: 69: -69: MOPAC Job: "AIGOUT.mop" ended normally on Feb 24, 2026, at 23:34. +69: MOPAC Job: "AIGOUT.mop" ended normally on Jan 23, 2025, at 19:16. 69: 69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 60/124 Test #69: key-AIGOUT ....................... Passed 0.29 sec +68: +68: +68: MOPAC Job: "AIGIN.mop" ended normally on Jan 23, 2025, at 19:16. +68: +68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 60/124 Test #69: key-AIGOUT ....................... Passed 0.18 sec test 72 Start 72: key-AM1 72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AM1.mop" 72: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 72: Test timeout computed to be: 10000000 -70: -70: -70: MOPAC Job: "ALLBONDS.mop" ended normally on Feb 24, 2026, at 23:34. -70: -70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -71: -71: -71: MOPAC Job: "ALLVEC.mop" ended normally on Feb 24, 2026, at 23:34. -71: - 61/124 Test #70: key-ALLBONDS ..................... Passed 0.39 sec + 61/124 Test #68: key-AIGIN ........................ Passed 0.25 sec test 73 Start 73: key-ANGSTROMS 73: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ANGSTROMS.mop" 73: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 73: Test timeout computed to be: 10000000 +70: +70: +70: MOPAC Job: "ALLBONDS.mop" ended normally on Jan 23, 2025, at 19:16. +70: +71: +71: +71: MOPAC Job: "ALLVEC.mop" ended normally on Jan 23, 2025, at 19:16. +71: 71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 62/124 Test #71: key-ALLVEC ....................... Passed 0.34 sec +70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 62/124 Test #71: key-ALLVEC ....................... Passed 0.15 sec test 74 Start 74: key-AUTOSYM 74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "AUTOSYM.mop" 74: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 74: Test timeout computed to be: 10000000 -72: -72: -72: MOPAC Job: "AM1.mop" ended normally on Feb 24, 2026, at 23:34. -72: -72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 63/124 Test #72: key-AM1 .......................... Passed 0.44 sec + 63/124 Test #70: key-ALLBONDS ..................... Passed 0.26 sec test 75 Start 75: key-BIRADICAL @@ -2890,208 +2924,91 @@ 75: Test timeout computed to be: 10000000 73: 73: -73: MOPAC Job: "ANGSTROMS.mop" ended normally on Feb 24, 2026, at 23:34. +73: MOPAC Job: "ANGSTROMS.mop" ended normally on Jan 23, 2025, at 19:16. 73: 73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 64/124 Test #73: key-ANGSTROMS .................... Passed 0.30 sec +74: +74: +74: MOPAC Job: "AUTOSYM.mop" ended normally on Jan 23, 2025, at 19:16. +74: +74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +72: +72: +72: MOPAC Job: "AM1.mop" ended normally on Jan 23, 2025, at 19:16. +72: +72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 64/124 Test #74: key-AUTOSYM ...................... Passed 0.14 sec test 76 Start 76: key-CdotAdotSdot 76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop" 76: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 76: Test timeout computed to be: 10000000 -59: -59: -59: MOPAC Job: "poly_c8.mop" ended normally on Feb 24, 2026, at 23:34. -59: -74: -74: -74: MOPAC Job: "AUTOSYM.mop" ended normally on Feb 24, 2026, at 23:34. -74: -74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 65/124 Test #74: key-AUTOSYM ...................... Passed 0.34 sec +28: +28: +28: MOPAC Job: "erratic2.mop" ended normally on Jan 23, 2025, at 19:16. +28: + 65/124 Test #73: key-ANGSTROMS .................... Passed 0.22 sec test 77 Start 77: key-CdotIdot 77: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdot.mop" 77: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 77: Test timeout computed to be: 10000000 - 66/124 Test #59: poly_c8 .......................... Passed 1.93 sec + 66/124 Test #72: key-AM1 .......................... Passed 0.26 sec test 78 Start 78: key-CdotIdotDdot 78: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CdotIdotDdot.mop" 78: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 78: Test timeout computed to be: 10000000 -77: -77: -77: MOPAC Job: "CdotIdot.mop" ended normally on Feb 24, 2026, at 23:34. -77: -77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -28: -28: -28: MOPAC Job: "erratic2.mop" ended normally on Feb 24, 2026, at 23:34. -28: - 67/124 Test #77: key-CdotIdot ..................... Passed 0.32 sec + 67/124 Test #28: erratic-2 ........................ Passed 2.99 sec test 79 Start 79: key-CHARGE 79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CHARGE.mop" 79: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 79: Test timeout computed to be: 10000000 -78: -78: -78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Feb 24, 2026, at 23:34. -78: - 68/124 Test #78: key-CdotIdotDdot ................. Passed 0.38 sec +30: Passed API test 10 + 68/124 Test #30: mopac-api-test ................... Passed 2.94 sec test 80 Start 80: key-CIS 80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CIS.mop" 80: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 80: Test timeout computed to be: 10000000 - 69/124 Test #28: erratic-2 ........................ Passed 4.99 sec +59: +59: +59: MOPAC Job: "poly_c8.mop" ended normally on Jan 23, 2025, at 19:16. +59: +77: +77: +77: MOPAC Job: "CdotIdot.mop" ended normally on Jan 23, 2025, at 19:16. +77: +77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +27: +27: +27: MOPAC Job: "erratic1.mop" ended normally on Jan 23, 2025, at 19:16. +27: + 69/124 Test #77: key-CdotIdot ..................... Passed 0.16 sec test 81 Start 81: key-CISD 81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CISD.mop" 81: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 81: Test timeout computed to be: 10000000 -32: -32: -32: MOPAC Job: "ag20_cis_active.mop" ended normally on Feb 24, 2026, at 23:34. -32: 79: 79: -79: MOPAC Job: "CHARGE.mop" ended normally on Feb 24, 2026, at 23:34. +79: MOPAC Job: "CHARGE.mop" ended normally on Jan 23, 2025, at 19:16. 79: -79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 70/124 Test #79: key-CHARGE ....................... Passed 0.30 sec -test 82 - Start 82: key-CISDT - -82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CISDT.mop" -82: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -82: Test timeout computed to be: 10000000 -75: -75: -75: MOPAC Job: "BIRADICAL.mop" ended normally on Feb 24, 2026, at 23:34. -75: -80: -80: -80: MOPAC Job: "CIS.mop" ended normally on Feb 24, 2026, at 23:34. -80: - 71/124 Test #32: ag20_cis_active .................. Passed 4.15 sec -test 83 - Start 83: key-DISP - -83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DISP.mop" -83: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -83: Test timeout computed to be: 10000000 -75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: -81: -81: MOPAC Job: "CISD.mop" ended normally on Feb 24, 2026, at 23:34. -81: -81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 72/124 Test #80: key-CIS .......................... Passed 0.31 sec -test 84 - Start 84: key-DOUBLET - -84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DOUBLET.mop" -84: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -84: Test timeout computed to be: 10000000 - 73/124 Test #75: key-BIRADICAL .................... Passed 0.90 sec -test 85 - Start 85: key-EXTERNAL - -85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" -85: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -85: Test timeout computed to be: 10000000 - 74/124 Test #81: key-CISD ......................... Passed 0.34 sec -test 86 - Start 86: key-EXTERNAL-2 - -86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" -86: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -86: Test timeout computed to be: 10000000 -83: -83: -83: MOPAC Job: "DISP.mop" ended normally on Feb 24, 2026, at 23:34. -83: -83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -85: -85: -85: MOPAC Job: "EXTERNAL.mop" ended normally on Feb 24, 2026, at 23:34. -85: - 75/124 Test #83: key-DISP ......................... Passed 0.34 sec -test 87 - Start 87: key-INDO - -87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "INDO.mop" -87: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -87: Test timeout computed to be: 10000000 - 76/124 Test #85: key-EXTERNAL ..................... Passed 0.27 sec -test 88 - Start 88: key-MAXCI - -88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MAXCI.mop" -88: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -88: Test timeout computed to be: 10000000 -86: -86: -86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Feb 24, 2026, at 23:34. -86: - 77/124 Test #86: key-EXTERNAL-2 ................... Passed 0.29 sec -test 89 - Start 89: key-MECI - -89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MECI.mop" -89: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -89: Test timeout computed to be: 10000000 -84: -84: -84: MOPAC Job: "DOUBLET.mop" ended normally on Feb 24, 2026, at 23:34. -84: -27: -27: -27: MOPAC Job: "erratic1.mop" ended normally on Feb 24, 2026, at 23:34. -27: 27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -167.66387 on output line 349 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -701.50565 on output line 349 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.0.3/tests and -62312.34871 on output line 351 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3340,6 +3257,13 @@ 27: WARNING: numerical mismatch between 0.93911 on reference line 545 in /build/reproducible-path/mopac-23.0.3/tests and 0.93928 on output line 534 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between 1.14334 on reference line 545 in /build/reproducible-path/mopac-23.0.3/tests and 1.14316 on output line 534 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between 1.16678 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 1.167 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 70/124 Test #59: poly_c8 .......................... Passed 1.14 sec +test 82 + Start 82: key-CISDT + +82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "CISDT.mop" +82: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +82: Test timeout computed to be: 10000000 27: WARNING: numerical mismatch between 0.94759 on reference line 546 in /build/reproducible-path/mopac-23.0.3/tests and 0.94737 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -1.325 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -1.326 on output line 556 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -6.903 on reference line 567 in /build/reproducible-path/mopac-23.0.3/tests and -6.904 on output line 556 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3355,222 +3279,340 @@ 27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.0.3/tests and 158.0113 on output line 581 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.0.3/tests and -396.0581 on output line 583 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.0.3/tests and -2702.1192 on output line 585 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 78/124 Test #84: key-DOUBLET ...................... Passed 0.42 sec +79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 71/124 Test #79: key-CHARGE ....................... Passed 0.17 sec +test 83 + Start 83: key-DISP + +83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DISP.mop" +83: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +83: Test timeout computed to be: 10000000 + 72/124 Test #27: erratic-1 ........................ Passed 3.34 sec +test 84 + Start 84: key-DOUBLET + +84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "DOUBLET.mop" +84: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +84: Test timeout computed to be: 10000000 +78: +78: +78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jan 23, 2025, at 19:16. +78: +80: +80: +80: MOPAC Job: "CIS.mop" ended normally on Jan 23, 2025, at 19:16. +80: +80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 73/124 Test #78: key-CdotIdotDdot ................. Passed 0.24 sec +test 85 + Start 85: key-EXTERNAL + +85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat" +85: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +85: Test timeout computed to be: 10000000 + 74/124 Test #80: key-CIS .......................... Passed 0.18 sec +test 86 + Start 86: key-EXTERNAL-2 + +86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop" +86: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +86: Test timeout computed to be: 10000000 +81: +81: +81: MOPAC Job: "CISD.mop" ended normally on Jan 23, 2025, at 19:16. +81: +75: +75: +75: MOPAC Job: "BIRADICAL.mop" ended normally on Jan 23, 2025, at 19:16. +75: +75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 75/124 Test #81: key-CISD ......................... Passed 0.19 sec +test 87 + Start 87: key-INDO + +87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "INDO.mop" +87: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +87: Test timeout computed to be: 10000000 + 76/124 Test #75: key-BIRADICAL .................... Passed 0.47 sec +test 88 + Start 88: key-MAXCI + +88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MAXCI.mop" +88: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +88: Test timeout computed to be: 10000000 +85: +85: +85: MOPAC Job: "EXTERNAL.mop" ended normally on Jan 23, 2025, at 19:16. +85: +84: +84: +84: MOPAC Job: "DOUBLET.mop" ended normally on Jan 23, 2025, at 19:16. +84: +86: +86: +86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jan 23, 2025, at 19:16. +86: +83: +83: +83: MOPAC Job: "DISP.mop" ended normally on Jan 23, 2025, at 19:16. +83: +83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 33624.30811 on reference line 89 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 89 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -185.25248 on reference line 90 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 90 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -192.3822 on reference line 94 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 94 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -4519.7709 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 3053.64839 on reference line 101 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 101 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical heat mismatch between -192.3822 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -804.92711 on reference line 285 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 285 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -33809.56058 on reference line 287 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 287 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 33624.30811 on reference line 288 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 33624.33492 on output line 288 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -185.25248 on reference line 289 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -185.25327 on output line 289 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 77/124 Test #85: key-EXTERNAL ..................... Passed 0.16 sec +test 89 + Start 89: key-MECI + +89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MECI.mop" +89: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +89: Test timeout computed to be: 10000000 + 78/124 Test #86: key-EXTERNAL-2 ................... Passed 0.16 sec test 90 Start 90: key-MNDO 90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MNDO.mop" 90: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 90: Test timeout computed to be: 10000000 - 79/124 Test #27: erratic-1 ........................ Passed 5.90 sec + 79/124 Test #83: key-DISP ......................... Passed 0.23 sec test 91 Start 91: key-MNDOD 91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MNDOD.mop" 91: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 91: Test timeout computed to be: 10000000 -89: -89: -89: MOPAC Job: "MECI.mop" ended normally on Feb 24, 2026, at 23:34. -89: -89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 80/124 Test #89: key-MECI ......................... Passed 0.15 sec +84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20323 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 80/124 Test #84: key-DOUBLET ...................... Passed 0.24 sec test 92 Start 92: key-MRCI 92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MRCI.mop" 92: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 92: Test timeout computed to be: 10000000 -76: -76: -76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Feb 24, 2026, at 23:34. -76: +88: +88: +88: MOPAC Job: "MAXCI.mop" ended normally on Jan 23, 2025, at 19:16. +88: 87: 87: -87: MOPAC Job: "INDO.mop" ended normally on Feb 24, 2026, at 23:34. +87: MOPAC Job: "INDO.mop" ended normally on Jan 23, 2025, at 19:16. 87: -30: Passed API test 10 - 81/124 Test #87: key-INDO ......................... Passed 0.31 sec +89: +89: +89: MOPAC Job: "MECI.mop" ended normally on Jan 23, 2025, at 19:16. +89: +90: +90: +90: MOPAC Job: "MNDO.mop" ended normally on Jan 23, 2025, at 19:16. +90: + 81/124 Test #88: key-MAXCI ........................ Passed 0.18 sec test 93 Start 93: key-MS 93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "MS.mop" 93: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 93: Test timeout computed to be: 10000000 - 82/124 Test #76: key-CdotAdotSdot ................. Passed 1.41 sec +89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 82/124 Test #87: key-INDO ......................... Passed 0.20 sec test 94 Start 94: key-NOANCI 94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NOANCI.mop" 94: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 94: Test timeout computed to be: 10000000 - 83/124 Test #30: mopac-api-test ................... Passed 5.79 sec + 83/124 Test #89: key-MECI ......................... Passed 0.14 sec test 95 Start 95: key-NONET 95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NONET.mop" 95: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 95: Test timeout computed to be: 10000000 -88: -88: -88: MOPAC Job: "MAXCI.mop" ended normally on Feb 24, 2026, at 23:34. -88: -90: -90: -90: MOPAC Job: "MNDO.mop" ended normally on Feb 24, 2026, at 23:34. -90: -90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 84/124 Test #88: key-MAXCI ........................ Passed 0.42 sec + 84/124 Test #90: key-MNDO ......................... Passed 0.14 sec test 96 Start 96: key-NOSYM 96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "NOSYM.mop" 96: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 96: Test timeout computed to be: 10000000 - 85/124 Test #90: key-MNDO ......................... Passed 0.32 sec +91: +91: +91: MOPAC Job: "MNDOD.mop" ended normally on Jan 23, 2025, at 19:16. +91: + 85/124 Test #91: key-MNDOD ........................ Passed 0.19 sec test 97 Start 97: key-OCTET 97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "OCTET.mop" 97: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 97: Test timeout computed to be: 10000000 -91: -91: -91: MOPAC Job: "MNDOD.mop" ended normally on Feb 24, 2026, at 23:34. -91: -95: -95: -95: MOPAC Job: "NONET.mop" ended normally on Feb 24, 2026, at 23:34. -95: -94: -94: -94: MOPAC Job: "NOANCI.mop" ended normally on Feb 24, 2026, at 23:34. -94: -92: -92: -92: MOPAC Job: "MRCI.mop" ended normally on Feb 24, 2026, at 23:34. -92: 93: 93: -93: MOPAC Job: "MS.mop" ended normally on Feb 24, 2026, at 23:34. +93: MOPAC Job: "MS.mop" ended normally on Jan 23, 2025, at 19:16. 93: +96: +96: +96: MOPAC Job: "NOSYM.mop" ended normally on Jan 23, 2025, at 19:16. +96: +96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +94: +94: +94: MOPAC Job: "NOANCI.mop" ended normally on Jan 23, 2025, at 19:16. +94: 94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 86/124 Test #91: key-MNDOD ........................ Passed 0.49 sec + 86/124 Test #96: key-NOSYM ........................ Passed 0.16 sec test 98 Start 98: key-OPEN 98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "OPEN.mop" 98: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 98: Test timeout computed to be: 10000000 - 87/124 Test #93: key-MS ........................... Passed 0.36 sec + 87/124 Test #93: key-MS ........................... Passed 0.20 sec test 99 Start 99: key-PECI 99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PECI.mop" 99: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 99: Test timeout computed to be: 10000000 - 88/124 Test #95: key-NONET ........................ Passed 0.35 sec +95: +95: +95: MOPAC Job: "NONET.mop" ended normally on Jan 23, 2025, at 19:16. +95: +92: +92: +92: MOPAC Job: "MRCI.mop" ended normally on Jan 23, 2025, at 19:16. +92: + 88/124 Test #94: key-NOANCI ....................... Passed 0.21 sec test 100 Start 100: key-PM3 100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM3.mop" 100: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 100: Test timeout computed to be: 10000000 -96: -96: -96: MOPAC Job: "NOSYM.mop" ended normally on Feb 24, 2026, at 23:34. -96: - 89/124 Test #94: key-NOANCI ....................... Passed 0.38 sec +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 89/124 Test #92: key-MRCI ......................... Passed 0.31 sec test 101 Start 101: key-PM6 101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6.mop" 101: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 101: Test timeout computed to be: 10000000 - 90/124 Test #92: key-MRCI ......................... Passed 0.49 sec +97: +97: +97: MOPAC Job: "OCTET.mop" ended normally on Jan 23, 2025, at 19:16. +97: +76: +76: +76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jan 23, 2025, at 19:16. +76: +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 90/124 Test #95: key-NONET ........................ Passed 0.25 sec test 102 Start 102: key-PM6-D3 102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3.mop" 102: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 102: Test timeout computed to be: 10000000 -96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 91/124 Test #96: key-NOSYM ........................ Passed 0.30 sec + 91/124 Test #97: key-OCTET ........................ Passed 0.20 sec test 103 Start 103: key-PM6-D3H4 103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop" 103: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 103: Test timeout computed to be: 10000000 -97: -97: -97: MOPAC Job: "OCTET.mop" ended normally on Feb 24, 2026, at 23:34. -97: -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 92/124 Test #97: key-OCTET ........................ Passed 0.40 sec + 92/124 Test #76: key-CdotAdotSdot ................. Passed 0.84 sec test 104 Start 104: key-PM6-D3H4X 104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop" 104: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 104: Test timeout computed to be: 10000000 +99: +99: +99: MOPAC Job: "PECI.mop" ended normally on Jan 23, 2025, at 19:16. +99: 100: 100: -100: MOPAC Job: "PM3.mop" ended normally on Feb 24, 2026, at 23:34. +100: MOPAC Job: "PM3.mop" ended normally on Jan 23, 2025, at 19:16. 100: +98: +98: +98: MOPAC Job: "OPEN.mop" ended normally on Jan 23, 2025, at 19:16. +98: 100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +101: +101: +101: MOPAC Job: "PM6.mop" ended normally on Jan 23, 2025, at 19:16. +101: +99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 102: 102: -102: MOPAC Job: "PM6-D3.mop" ended normally on Feb 24, 2026, at 23:34. +102: MOPAC Job: "PM6-D3.mop" ended normally on Jan 23, 2025, at 19:16. 102: -102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -98: -98: -98: MOPAC Job: "OPEN.mop" ended normally on Feb 24, 2026, at 23:34. -98: - 93/124 Test #100: key-PM3 .......................... Passed 0.30 sec + 93/124 Test #100: key-PM3 .......................... Passed 0.16 sec test 105 Start 105: key-PM6-DHplus 105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop" 105: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 105: Test timeout computed to be: 10000000 -103: -103: -103: MOPAC Job: "PM6-D3H4.mop" ended normally on Feb 24, 2026, at 23:34. -103: -103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 94/124 Test #102: key-PM6-D3 ....................... Passed 0.28 sec + 94/124 Test #101: key-PM6 .......................... Passed 0.14 sec test 106 Start 106: key-PM6-DH2 @@ -3581,144 +3623,137 @@ 98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 95/124 Test #103: key-PM6-D3H4 ..................... Passed 0.28 sec +102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac + 95/124 Test #99: key-PECI ......................... Passed 0.19 sec test 107 Start 107: key-PM6-DH2X 107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM6-DH2X.mop" 107: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 107: Test timeout computed to be: 10000000 -101: -101: -101: MOPAC Job: "PM6.mop" ended normally on Feb 24, 2026, at 23:34. -101: -101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 96/124 Test #101: key-PM6 .......................... Passed 0.40 sec + 96/124 Test #98: key-OPEN ......................... Passed 0.21 sec test 108 Start 108: key-PM7 108: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM7.mop" 108: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 108: Test timeout computed to be: 10000000 -99: -99: -99: MOPAC Job: "PECI.mop" ended normally on Feb 24, 2026, at 23:34. -99: - 97/124 Test #98: key-OPEN ......................... Passed 0.46 sec + 97/124 Test #102: key-PM6-D3 ....................... Passed 0.13 sec test 109 Start 109: key-PM7-TS 109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "PM7-TS.mop" 109: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 109: Test timeout computed to be: 10000000 -99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +103: +103: +103: MOPAC Job: "PM6-D3H4.mop" ended normally on Jan 23, 2025, at 19:16. +103: +103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 104: 104: -104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Feb 24, 2026, at 23:34. +104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jan 23, 2025, at 19:16. 104: 104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 98/124 Test #99: key-PECI ......................... Passed 0.50 sec + 98/124 Test #103: key-PM6-D3H4 ..................... Passed 0.17 sec test 110 Start 110: key-QUARTET 110: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "QUARTET.mop" 110: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 110: Test timeout computed to be: 10000000 -105: -105: -105: MOPAC Job: "PM6-DHplus.mop" ended normally on Feb 24, 2026, at 23:34. -105: -106: -106: -106: MOPAC Job: "PM6-DH2.mop" ended normally on Feb 24, 2026, at 23:34. -106: -105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac - 99/124 Test #104: key-PM6-D3H4X .................... Passed 0.35 sec + 99/124 Test #104: key-PM6-D3H4X .................... Passed 0.18 sec test 111 Start 111: key-QUINTET 111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "QUINTET.mop" 111: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 111: Test timeout computed to be: 10000000 +106: +106: +106: MOPAC Job: "PM6-DH2.mop" ended normally on Jan 23, 2025, at 19:16. +106: +106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +105: +105: +105: MOPAC Job: "PM6-DHplus.mop" ended normally on Jan 23, 2025, at 19:16. +105: +105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 107: 107: -107: MOPAC Job: "PM6-DH2X.mop" ended normally on Feb 24, 2026, at 23:34. +107: MOPAC Job: "PM6-DH2X.mop" ended normally on Jan 23, 2025, at 19:16. 107: 107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -100/124 Test #106: key-PM6-DH2 ...................... Passed 0.27 sec +109: +109: +109: MOPAC Job: "PM7-TS.mop" ended normally on Jan 23, 2025, at 19:16. +109: +109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +100/124 Test #105: key-PM6-DHplus ................... Passed 0.14 sec +101/124 Test #106: key-PM6-DH2 ...................... Passed 0.13 sec test 112 Start 112: key-RHF 112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "RHF.mop" 112: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 112: Test timeout computed to be: 10000000 -101/124 Test #105: key-PM6-DHplus ................... Passed 0.29 sec test 113 Start 113: key-RM1 113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "RM1.mop" 113: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 113: Test timeout computed to be: 10000000 -102/124 Test #107: key-PM6-DH2X ..................... Passed 0.26 sec +108: +108: +108: MOPAC Job: "PM7.mop" ended normally on Jan 23, 2025, at 19:16. +108: +108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +102/124 Test #107: key-PM6-DH2X ..................... Passed 0.14 sec +103/124 Test #109: key-PM7-TS ....................... Passed 0.13 sec test 114 Start 114: key-ROOT 114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "ROOT.mop" 114: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 114: Test timeout computed to be: 10000000 -108: -108: -108: MOPAC Job: "PM7.mop" ended normally on Feb 24, 2026, at 23:34. -108: -108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -109: -109: -109: MOPAC Job: "PM7-TS.mop" ended normally on Feb 24, 2026, at 23:34. -109: -109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -103/124 Test #108: key-PM7 .......................... Passed 0.34 sec test 115 Start 115: key-SEPTET 115: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SEPTET.mop" 115: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 115: Test timeout computed to be: 10000000 -104/124 Test #109: key-PM7-TS ....................... Passed 0.36 sec +104/124 Test #108: key-PM7 .......................... Passed 0.15 sec test 116 Start 116: key-SEXTET 116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SEXTET.mop" 116: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 116: Test timeout computed to be: 10000000 -113: -113: -113: MOPAC Job: "RM1.mop" ended normally on Feb 24, 2026, at 23:34. -113: -113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: -112: -112: MOPAC Job: "RHF.mop" ended normally on Feb 24, 2026, at 23:34. -112: -112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: +110: +110: MOPAC Job: "QUARTET.mop" ended normally on Jan 23, 2025, at 19:16. +110: +110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 111: 111: -111: MOPAC Job: "QUINTET.mop" ended normally on Feb 24, 2026, at 23:34. +111: MOPAC Job: "QUINTET.mop" ended normally on Jan 23, 2025, at 19:16. 111: -105/124 Test #113: key-RM1 .......................... Passed 0.26 sec +105/124 Test #110: key-QUARTET ...................... Passed 0.16 sec test 117 Start 117: key-SINGLET @@ -3733,33 +3768,34 @@ 111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: -110: -110: MOPAC Job: "QUARTET.mop" ended normally on Feb 24, 2026, at 23:34. -110: -106/124 Test #112: key-RHF .......................... Passed 0.31 sec +112: +112: +112: MOPAC Job: "RHF.mop" ended normally on Jan 23, 2025, at 19:16. +112: +106/124 Test #111: key-QUINTET ...................... Passed 0.17 sec test 118 Start 118: key-SNAP 118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SNAP.mop" 118: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 118: Test timeout computed to be: 10000000 -110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 126.90707 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 530.97919 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -107/124 Test #111: key-QUINTET ...................... Passed 0.37 sec +112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +113: +113: +113: MOPAC Job: "RM1.mop" ended normally on Jan 23, 2025, at 19:16. +113: +113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +107/124 Test #112: key-RHF .......................... Passed 0.15 sec test 119 Start 119: key-SYMMETRY 119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "SYMMETRY.mop" 119: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 119: Test timeout computed to be: 10000000 -108/124 Test #110: key-QUARTET ...................... Passed 0.45 sec +108/124 Test #113: key-RM1 .......................... Passed 0.15 sec test 120 Start 120: key-TDIP @@ -3768,12 +3804,8 @@ 120: Test timeout computed to be: 10000000 115: 115: -115: MOPAC Job: "SEPTET.mop" ended normally on Feb 24, 2026, at 23:34. +115: MOPAC Job: "SEPTET.mop" ended normally on Jan 23, 2025, at 19:16. 115: -117: -117: -117: MOPAC Job: "SINGLET.mop" ended normally on Feb 24, 2026, at 23:34. -117: 115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3782,12 +3814,27 @@ 115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44236 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +109/124 Test #115: key-SEPTET ....................... Passed 0.18 sec +test 121 + Start 121: key-TRIPLET + +121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "TRIPLET.mop" +121: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +121: Test timeout computed to be: 10000000 116: 116: -116: MOPAC Job: "SEXTET.mop" ended normally on Feb 24, 2026, at 23:34. +116: MOPAC Job: "SEXTET.mop" ended normally on Jan 23, 2025, at 19:16. 116: +117: +117: +117: MOPAC Job: "SINGLET.mop" ended normally on Jan 23, 2025, at 19:16. +117: +118: +118: +118: MOPAC Job: "SNAP.mop" ended normally on Jan 23, 2025, at 19:16. +118: +117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3796,45 +3843,37 @@ 116: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 116: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -109/124 Test #115: key-SEPTET ....................... Passed 0.39 sec -test 121 - Start 121: key-TRIPLET - -121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "TRIPLET.mop" -121: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -121: Test timeout computed to be: 10000000 -110/124 Test #117: key-SINGLET ...................... Passed 0.33 sec +118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +110/124 Test #117: key-SINGLET ...................... Passed 0.17 sec test 122 Start 122: key-UHF 122: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "UHF.mop" 122: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 122: Test timeout computed to be: 10000000 -111/124 Test #116: key-SEXTET ....................... Passed 0.41 sec +111/124 Test #116: key-SEXTET ....................... Passed 0.24 sec +112/124 Test #118: key-SNAP ......................... Passed 0.16 sec +119: +119: +119: MOPAC Job: "SYMMETRY.mop" ended normally on Jan 23, 2025, at 19:16. +119: test 123 Start 123: key-WRTCI 123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCI.mop" 123: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords 123: Test timeout computed to be: 10000000 -120: -120: -120: MOPAC Job: "TDIP.mop" ended normally on Feb 24, 2026, at 23:34. -120: -118: -118: -118: MOPAC Job: "SNAP.mop" ended normally on Feb 24, 2026, at 23:34. -118: -119: -119: -119: MOPAC Job: "SYMMETRY.mop" ended normally on Feb 24, 2026, at 23:34. -119: -118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +test 124 + Start 124: key-WRTCONF + +124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCONF.mop" +124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords +124: Test timeout computed to be: 10000000 119: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3845,26 +3884,16 @@ 119: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 119: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -112/124 Test #120: key-TDIP ......................... Passed 0.34 sec -test 124 - Start 124: key-WRTCONF - -124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac" "0.01" "WRTCONF.mop" -124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/tests/keywords -124: Test timeout computed to be: 10000000 -113/124 Test #118: key-SNAP ......................... Passed 0.41 sec -114/124 Test #119: key-SYMMETRY ..................... Passed 0.41 sec +120: +120: +120: MOPAC Job: "TDIP.mop" ended normally on Jan 23, 2025, at 19:16. +120: +113/124 Test #119: key-SYMMETRY ..................... Passed 0.17 sec +114/124 Test #120: key-TDIP ......................... Passed 0.18 sec 121: 121: -121: MOPAC Job: "TRIPLET.mop" ended normally on Feb 24, 2026, at 23:34. +121: MOPAC Job: "TRIPLET.mop" ended normally on Jan 23, 2025, at 19:16. 121: -122: -122: -122: MOPAC Job: "UHF.mop" ended normally on Feb 24, 2026, at 23:34. -122: -122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3873,35 +3902,46 @@ 121: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 94.0627 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 121: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +122: +122: +122: MOPAC Job: "UHF.mop" ended normally on Jan 23, 2025, at 19:16. +122: +115/124 Test #121: key-TRIPLET ...................... Passed 0.18 sec +122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac +116/124 Test #122: key-UHF .......................... Passed 0.13 sec 123: 123: -123: MOPAC Job: "WRTCI.mop" ended normally on Feb 24, 2026, at 23:34. +123: MOPAC Job: "WRTCI.mop" ended normally on Jan 23, 2025, at 19:16. 123: -115/124 Test #121: key-TRIPLET ...................... Passed 0.34 sec -116/124 Test #122: key-UHF .......................... Passed 0.33 sec -117/124 Test #123: key-WRTCI ........................ Passed 0.34 sec 124: 124: -124: MOPAC Job: "WRTCONF.mop" ended normally on Feb 24, 2026, at 23:34. +124: MOPAC Job: "WRTCONF.mop" ended normally on Jan 23, 2025, at 19:16. 124: -118/124 Test #124: key-WRTCONF ...................... Passed 0.32 sec -60: -60: -60: MOPAC Job: "poly_c8_mr.mop" ended normally on Feb 24, 2026, at 23:34. -60: +117/124 Test #123: key-WRTCI ........................ Passed 0.15 sec +118/124 Test #124: key-WRTCONF ...................... Passed 0.15 sec 82: 82: -82: MOPAC Job: "CISDT.mop" ended normally on Feb 24, 2026, at 23:34. +82: MOPAC Job: "CISDT.mop" ended normally on Jan 23, 2025, at 19:16. 82: -119/124 Test #60: poly_c8_mr ....................... Passed 6.78 sec 82: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 82: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -120/124 Test #82: key-CISDT ........................ Passed 4.74 sec +119/124 Test #82: key-CISDT ........................ Passed 2.18 sec +60: +60: +60: MOPAC Job: "poly_c8_mr.mop" ended normally on Jan 23, 2025, at 19:16. +60: +120/124 Test #60: poly_c8_mr ....................... Passed 3.50 sec +1: +1: +1: MOPAC Job: "port.mop" ended normally on Jan 23, 2025, at 19:16. +1: 114: 114: -114: MOPAC Job: "ROOT.mop" ended normally on Feb 24, 2026, at 23:34. +114: MOPAC Job: "ROOT.mop" ended normally on Jan 23, 2025, at 19:16. 114: 114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -3917,11 +3957,7 @@ 114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -121/124 Test #114: key-ROOT ......................... Passed 10.68 sec -1: -1: -1: MOPAC Job: "port.mop" ended normally on Feb 24, 2026, at 23:34. -1: +121/124 Test #114: key-ROOT ......................... Passed 7.25 sec 1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-23.0.3/tests and 1.9631 on output line 52887 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-23.0.3/tests and 16.9805 on output line 52888 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 18.676412 on reference line 52887 in /build/reproducible-path/mopac-23.0.3/tests and 16.980531 on output line 52890 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac @@ -5853,21 +5889,21 @@ 1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-23.0.3/tests and -470.03787 on output line 103576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-23.0.3/tests and 0.005765 on output line 103577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac 1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-23.0.3/tests and -470.038153 on output line 103579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac -122/124 Test #1: port ............................. Passed 23.20 sec +122/124 Test #1: port ............................. Passed 13.18 sec 3: 3: -3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Feb 24, 2026, at 23:34. +3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jan 23, 2025, at 19:16. 3: -123/124 Test #3: mozyme ........................... Passed 32.86 sec +123/124 Test #3: mozyme ........................... Passed 20.07 sec 2: 2: -2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Feb 24, 2026, at 23:35. +2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jan 23, 2025, at 19:16. 2: -124/124 Test #2: crambin .......................... Passed 60.45 sec +124/124 Test #2: crambin .......................... Passed 26.94 sec 100% tests passed, 0 tests failed out of 124 -Total Test time (real) = 60.52 sec +Total Test time (real) = 26.94 sec make[1]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp fakeroot debian/rules binary @@ -5890,17 +5926,11 @@ make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build -make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac-makpol.dir/build'. -make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build -[ 6%] Built target mopac-makpol make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-core.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[ 98%] Built target mopac-core +[ 92%] Built target mopac-core make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/depend make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/depend @@ -5911,23 +5941,29 @@ make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' cd /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build +make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build -make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build +make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build +make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'CMakeFiles/mopac-api-test.dir/build'. make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' -[ 99%] Built target mopac-param -[ 99%] Built target mopac -[100%] Built target mopac-api-test +make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/mopac-makpol.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' +[ 92%] Built target mopac +[ 97%] Built target mopac-param +[ 97%] Built target mopac-api-test +[100%] Built target mopac-makpol make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall @@ -5973,12 +6009,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: including full source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2706479/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2706479/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/1680811 and its subdirectories -I: Current time: Tue Feb 24 23:37:31 -12 2026 -I: pbuilder-time-stamp: 1772019451 +I: removing directory /srv/workspace/pbuilder/2706479 and its subdirectories +I: Current time: Thu Jan 23 19:16:50 +14 2025 +I: pbuilder-time-stamp: 1737609410