Diff of the two buildlogs:
--
--- b1/build.log 2021-12-08 15:19:05.368528056 +0000
+++ b2/build.log 2021-12-08 15:55:59.775293130 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Wed Dec 8 02:44:25 -12 2021
-I: pbuilder-time-stamp: 1638974665
+I: Current time: Wed Jan 11 11:42:15 +14 2023
+I: pbuilder-time-stamp: 1673386935
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/buster-reproducible-base.tgz]
I: copying local configuration
@@ -17,7 +17,7 @@
I: Extracting source
gpgv: unknown type of key resource 'trustedkeys.kbx'
gpgv: keyblock resource '/root/.gnupg/trustedkeys.kbx': General error
-gpgv: Signature made Mon Nov 12 00:48:37 2018 -12
+gpgv: Signature made Tue Nov 13 02:48:37 2018 +14
gpgv: using RSA key 9CA877749FAB2E4FA96862ECDC686A27B43481B0
gpgv: Can't check signature: No public key
dpkg-source: warning: failed to verify signature on ./openbabel_2.4.1+dfsg-3.dsc
@@ -33,136 +33,170 @@
dpkg-source: info: applying pybel_indexerror.patch
I: using fakeroot in build.
I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/1990442/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/2315527/tmp/hooks/D01_modify_environment starting
+debug: Running on ionos5-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
+Removing 'diversion of /bin/sh to /bin/sh.distrib by dash'
+Adding 'diversion of /bin/sh to /bin/sh.distrib by bash'
+Removing 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by dash'
+Adding 'diversion of /usr/share/man/man1/sh.1.gz to /usr/share/man/man1/sh.distrib.1.gz by 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/2315527/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/2315527/tmp/hooks/D02_print_environment starting
I: set
- BUILDDIR='/build'
- BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
- BUILDUSERNAME='pbuilder1'
- BUILD_ARCH='amd64'
- DEBIAN_FRONTEND='noninteractive'
- DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=15'
- DISTRIBUTION=''
- HOME='/root'
- HOST_ARCH='amd64'
+ BASH=/bin/sh
+ BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:hostcomplete:interactive_comments:progcomp:promptvars:sourcepath
+ BASH_ALIASES=()
+ BASH_ARGC=()
+ BASH_ARGV=()
+ BASH_CMDS=()
+ BASH_LINENO=([0]="12" [1]="0")
+ BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+ BASH_VERSINFO=([0]="5" [1]="0" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu")
+ BASH_VERSION='5.0.3(1)-release'
+ BUILDDIR=/build
+ 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=16'
+ DIRSTACK=()
+ DISTRIBUTION=
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=x86_64
+ HOST_ARCH=amd64
IFS='
'
- INVOCATION_ID='06b9281416404391a98692de01da467c'
- 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='1990442'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=0f0a60658b6e4cbcab965bd237783096
+ 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=2315527
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/tmp.UaxcRA3fgv/pbuilderrc_YaFA --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.UaxcRA3fgv/b1 --logfile b1/build.log openbabel_2.4.1+dfsg-3.dsc'
- SUDO_GID='110'
- SUDO_UID='105'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://78.137.99.97:3128'
+ PWD=/
+ SHELL=/bin/bash
+ SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+ SHLVL=3
+ SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/tmp.UaxcRA3fgv/pbuilderrc_DWM1 --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/buster-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/tmp.UaxcRA3fgv/b2 --logfile b2/build.log openbabel_2.4.1+dfsg-3.dsc'
+ SUDO_GID=110
+ SUDO_UID=105
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://85.184.249.68:3128
I: uname -a
- Linux ionos1-amd64 5.10.0-9-amd64 #1 SMP Debian 5.10.70-1 (2021-09-30) x86_64 GNU/Linux
+ Linux i-capture-the-hostname 5.14.0-0.bpo.2-amd64 #1 SMP Debian 5.14.9-2~bpo11+1 (2021-10-10) x86_64 GNU/Linux
I: ls -l /bin
total 5116
- -rwxr-xr-x 1 root root 1168776 Apr 17 2019 bash
- -rwxr-xr-x 3 root root 38984 Jul 10 2019 bunzip2
- -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzcat
- lrwxrwxrwx 1 root root 6 Jul 10 2019 bzcmp -> bzdiff
- -rwxr-xr-x 1 root root 2227 Jul 10 2019 bzdiff
- lrwxrwxrwx 1 root root 6 Jul 10 2019 bzegrep -> bzgrep
- -rwxr-xr-x 1 root root 4877 Jun 24 2019 bzexe
- lrwxrwxrwx 1 root root 6 Jul 10 2019 bzfgrep -> bzgrep
- -rwxr-xr-x 1 root root 3641 Jul 10 2019 bzgrep
- -rwxr-xr-x 3 root root 38984 Jul 10 2019 bzip2
- -rwxr-xr-x 1 root root 14328 Jul 10 2019 bzip2recover
- lrwxrwxrwx 1 root root 6 Jul 10 2019 bzless -> bzmore
- -rwxr-xr-x 1 root root 1297 Jul 10 2019 bzmore
- -rwxr-xr-x 1 root root 43744 Feb 28 2019 cat
- -rwxr-xr-x 1 root root 64320 Feb 28 2019 chgrp
- -rwxr-xr-x 1 root root 64288 Feb 28 2019 chmod
- -rwxr-xr-x 1 root root 72512 Feb 28 2019 chown
- -rwxr-xr-x 1 root root 146880 Feb 28 2019 cp
- -rwxr-xr-x 1 root root 121464 Jan 17 2019 dash
- -rwxr-xr-x 1 root root 109408 Feb 28 2019 date
- -rwxr-xr-x 1 root root 76712 Feb 28 2019 dd
- -rwxr-xr-x 1 root root 93744 Feb 28 2019 df
- -rwxr-xr-x 1 root root 138856 Feb 28 2019 dir
- -rwxr-xr-x 1 root root 84288 Jan 9 2019 dmesg
- lrwxrwxrwx 1 root root 8 Sep 26 2018 dnsdomainname -> hostname
- lrwxrwxrwx 1 root root 8 Sep 26 2018 domainname -> hostname
- -rwxr-xr-x 1 root root 39520 Feb 28 2019 echo
- -rwxr-xr-x 1 root root 28 Jan 7 2019 egrep
- -rwxr-xr-x 1 root root 35424 Feb 28 2019 false
- -rwxr-xr-x 1 root root 28 Jan 7 2019 fgrep
- -rwxr-xr-x 1 root root 68880 Jan 9 2019 findmnt
- -rwsr-xr-x 1 root root 34896 Apr 22 2020 fusermount
- -rwxr-xr-x 1 root root 198976 Jan 7 2019 grep
- -rwxr-xr-x 2 root root 2345 Jan 5 2019 gunzip
- -rwxr-xr-x 1 root root 6375 Jan 5 2019 gzexe
- -rwxr-xr-x 1 root root 98048 Jan 5 2019 gzip
- -rwxr-xr-x 1 root root 26696 Sep 26 2018 hostname
- -rwxr-xr-x 1 root root 68552 Feb 28 2019 ln
- -rwxr-xr-x 1 root root 56760 Jul 26 2018 login
- -rwxr-xr-x 1 root root 138856 Feb 28 2019 ls
- -rwxr-xr-x 1 root root 108624 Jan 9 2019 lsblk
- -rwxr-xr-x 1 root root 89088 Feb 28 2019 mkdir
- -rwxr-xr-x 1 root root 68544 Feb 28 2019 mknod
- -rwxr-xr-x 1 root root 43808 Feb 28 2019 mktemp
- -rwxr-xr-x 1 root root 43008 Jan 9 2019 more
- -rwsr-xr-x 1 root root 51280 Jan 9 2019 mount
- -rwxr-xr-x 1 root root 14408 Jan 9 2019 mountpoint
- -rwxr-xr-x 1 root root 138728 Feb 28 2019 mv
- lrwxrwxrwx 1 root root 8 Sep 26 2018 nisdomainname -> hostname
- lrwxrwxrwx 1 root root 14 Feb 14 2019 pidof -> /sbin/killall5
- -rwxr-xr-x 1 root root 39616 Feb 28 2019 pwd
- lrwxrwxrwx 1 root root 4 Apr 17 2019 rbash -> bash
- -rwxr-xr-x 1 root root 47776 Feb 28 2019 readlink
- -rwxr-xr-x 1 root root 68416 Feb 28 2019 rm
- -rwxr-xr-x 1 root root 47776 Feb 28 2019 rmdir
- -rwxr-xr-x 1 root root 23312 Jan 21 2019 run-parts
- -rwxr-xr-x 1 root root 122224 Dec 22 2018 sed
- lrwxrwxrwx 1 root root 4 Nov 7 09:58 sh -> dash
- -rwxr-xr-x 1 root root 39552 Feb 28 2019 sleep
- -rwxr-xr-x 1 root root 80672 Feb 28 2019 stty
- -rwsr-xr-x 1 root root 63568 Jan 9 2019 su
- -rwxr-xr-x 1 root root 35488 Feb 28 2019 sync
- -rwxr-xr-x 1 root root 445560 Apr 23 2019 tar
- -rwxr-xr-x 1 root root 14440 Jan 21 2019 tempfile
- -rwxr-xr-x 1 root root 97152 Feb 28 2019 touch
- -rwxr-xr-x 1 root root 35424 Feb 28 2019 true
- -rwxr-xr-x 1 root root 14328 Apr 22 2020 ulockmgr_server
- -rwsr-xr-x 1 root root 34888 Jan 9 2019 umount
- -rwxr-xr-x 1 root root 39584 Feb 28 2019 uname
- -rwxr-xr-x 2 root root 2345 Jan 5 2019 uncompress
- -rwxr-xr-x 1 root root 138856 Feb 28 2019 vdir
- -rwxr-xr-x 1 root root 34896 Jan 9 2019 wdctl
- -rwxr-xr-x 1 root root 946 Jan 21 2019 which
- lrwxrwxrwx 1 root root 8 Sep 26 2018 ypdomainname -> hostname
- -rwxr-xr-x 1 root root 1983 Jan 5 2019 zcat
- -rwxr-xr-x 1 root root 1677 Jan 5 2019 zcmp
- -rwxr-xr-x 1 root root 5879 Jan 5 2019 zdiff
- -rwxr-xr-x 1 root root 29 Jan 5 2019 zegrep
- -rwxr-xr-x 1 root root 29 Jan 5 2019 zfgrep
- -rwxr-xr-x 1 root root 2080 Jan 5 2019 zforce
- -rwxr-xr-x 1 root root 7584 Jan 5 2019 zgrep
- -rwxr-xr-x 1 root root 2205 Jan 5 2019 zless
- -rwxr-xr-x 1 root root 1841 Jan 5 2019 zmore
- -rwxr-xr-x 1 root root 4552 Jan 5 2019 znew
-I: user script /srv/workspace/pbuilder/1990442/tmp/hooks/D02_print_environment finished
+ -rwxr-xr-x 1 root root 1168776 Apr 18 2019 bash
+ -rwxr-xr-x 3 root root 38984 Jul 11 2019 bunzip2
+ -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzcat
+ lrwxrwxrwx 1 root root 6 Jul 11 2019 bzcmp -> bzdiff
+ -rwxr-xr-x 1 root root 2227 Jul 11 2019 bzdiff
+ lrwxrwxrwx 1 root root 6 Jul 11 2019 bzegrep -> bzgrep
+ -rwxr-xr-x 1 root root 4877 Jun 25 2019 bzexe
+ lrwxrwxrwx 1 root root 6 Jul 11 2019 bzfgrep -> bzgrep
+ -rwxr-xr-x 1 root root 3641 Jul 11 2019 bzgrep
+ -rwxr-xr-x 3 root root 38984 Jul 11 2019 bzip2
+ -rwxr-xr-x 1 root root 14328 Jul 11 2019 bzip2recover
+ lrwxrwxrwx 1 root root 6 Jul 11 2019 bzless -> bzmore
+ -rwxr-xr-x 1 root root 1297 Jul 11 2019 bzmore
+ -rwxr-xr-x 1 root root 43744 Mar 1 2019 cat
+ -rwxr-xr-x 1 root root 64320 Mar 1 2019 chgrp
+ -rwxr-xr-x 1 root root 64288 Mar 1 2019 chmod
+ -rwxr-xr-x 1 root root 72512 Mar 1 2019 chown
+ -rwxr-xr-x 1 root root 146880 Mar 1 2019 cp
+ -rwxr-xr-x 1 root root 121464 Jan 18 2019 dash
+ -rwxr-xr-x 1 root root 109408 Mar 1 2019 date
+ -rwxr-xr-x 1 root root 76712 Mar 1 2019 dd
+ -rwxr-xr-x 1 root root 93744 Mar 1 2019 df
+ -rwxr-xr-x 1 root root 138856 Mar 1 2019 dir
+ -rwxr-xr-x 1 root root 84288 Jan 10 2019 dmesg
+ lrwxrwxrwx 1 root root 8 Sep 27 2018 dnsdomainname -> hostname
+ lrwxrwxrwx 1 root root 8 Sep 27 2018 domainname -> hostname
+ -rwxr-xr-x 1 root root 39520 Mar 1 2019 echo
+ -rwxr-xr-x 1 root root 28 Jan 8 2019 egrep
+ -rwxr-xr-x 1 root root 35424 Mar 1 2019 false
+ -rwxr-xr-x 1 root root 28 Jan 8 2019 fgrep
+ -rwxr-xr-x 1 root root 68880 Jan 10 2019 findmnt
+ -rwsr-xr-x 1 root root 34896 Apr 23 2020 fusermount
+ -rwxr-xr-x 1 root root 198976 Jan 8 2019 grep
+ -rwxr-xr-x 2 root root 2345 Jan 6 2019 gunzip
+ -rwxr-xr-x 1 root root 6375 Jan 6 2019 gzexe
+ -rwxr-xr-x 1 root root 98048 Jan 6 2019 gzip
+ -rwxr-xr-x 1 root root 26696 Sep 27 2018 hostname
+ -rwxr-xr-x 1 root root 68552 Mar 1 2019 ln
+ -rwxr-xr-x 1 root root 56760 Jul 27 2018 login
+ -rwxr-xr-x 1 root root 138856 Mar 1 2019 ls
+ -rwxr-xr-x 1 root root 108624 Jan 10 2019 lsblk
+ -rwxr-xr-x 1 root root 89088 Mar 1 2019 mkdir
+ -rwxr-xr-x 1 root root 68544 Mar 1 2019 mknod
+ -rwxr-xr-x 1 root root 43808 Mar 1 2019 mktemp
+ -rwxr-xr-x 1 root root 43008 Jan 10 2019 more
+ -rwsr-xr-x 1 root root 51280 Jan 10 2019 mount
+ -rwxr-xr-x 1 root root 14408 Jan 10 2019 mountpoint
+ -rwxr-xr-x 1 root root 138728 Mar 1 2019 mv
+ lrwxrwxrwx 1 root root 8 Sep 27 2018 nisdomainname -> hostname
+ lrwxrwxrwx 1 root root 14 Feb 15 2019 pidof -> /sbin/killall5
+ -rwxr-xr-x 1 root root 39616 Mar 1 2019 pwd
+ lrwxrwxrwx 1 root root 4 Apr 18 2019 rbash -> bash
+ -rwxr-xr-x 1 root root 47776 Mar 1 2019 readlink
+ -rwxr-xr-x 1 root root 68416 Mar 1 2019 rm
+ -rwxr-xr-x 1 root root 47776 Mar 1 2019 rmdir
+ -rwxr-xr-x 1 root root 23312 Jan 22 2019 run-parts
+ -rwxr-xr-x 1 root root 122224 Dec 23 2018 sed
+ lrwxrwxrwx 1 root root 4 Jan 11 11:42 sh -> bash
+ lrwxrwxrwx 1 root root 4 Dec 11 18:21 sh.distrib -> dash
+ -rwxr-xr-x 1 root root 39552 Mar 1 2019 sleep
+ -rwxr-xr-x 1 root root 80672 Mar 1 2019 stty
+ -rwsr-xr-x 1 root root 63568 Jan 10 2019 su
+ -rwxr-xr-x 1 root root 35488 Mar 1 2019 sync
+ -rwxr-xr-x 1 root root 445560 Apr 24 2019 tar
+ -rwxr-xr-x 1 root root 14440 Jan 22 2019 tempfile
+ -rwxr-xr-x 1 root root 97152 Mar 1 2019 touch
+ -rwxr-xr-x 1 root root 35424 Mar 1 2019 true
+ -rwxr-xr-x 1 root root 14328 Apr 23 2020 ulockmgr_server
+ -rwsr-xr-x 1 root root 34888 Jan 10 2019 umount
+ -rwxr-xr-x 1 root root 39584 Mar 1 2019 uname
+ -rwxr-xr-x 2 root root 2345 Jan 6 2019 uncompress
+ -rwxr-xr-x 1 root root 138856 Mar 1 2019 vdir
+ -rwxr-xr-x 1 root root 34896 Jan 10 2019 wdctl
+ -rwxr-xr-x 1 root root 946 Jan 22 2019 which
+ lrwxrwxrwx 1 root root 8 Sep 27 2018 ypdomainname -> hostname
+ -rwxr-xr-x 1 root root 1983 Jan 6 2019 zcat
+ -rwxr-xr-x 1 root root 1677 Jan 6 2019 zcmp
+ -rwxr-xr-x 1 root root 5879 Jan 6 2019 zdiff
+ -rwxr-xr-x 1 root root 29 Jan 6 2019 zegrep
+ -rwxr-xr-x 1 root root 29 Jan 6 2019 zfgrep
+ -rwxr-xr-x 1 root root 2080 Jan 6 2019 zforce
+ -rwxr-xr-x 1 root root 7584 Jan 6 2019 zgrep
+ -rwxr-xr-x 1 root root 2205 Jan 6 2019 zless
+ -rwxr-xr-x 1 root root 1841 Jan 6 2019 zmore
+ -rwxr-xr-x 1 root root 4552 Jan 6 2019 znew
+I: user script /srv/workspace/pbuilder/2315527/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -489,7 +523,7 @@
Get: 265 http://deb.debian.org/debian buster/main amd64 python-all-dev amd64 2.7.16-1 [1068 B]
Get: 266 http://deb.debian.org/debian buster/main amd64 python-pkg-resources all 40.8.0-1 [182 kB]
Get: 267 http://deb.debian.org/debian buster/main amd64 python-setuptools all 40.8.0-1 [382 kB]
-Fetched 183 MB in 3s (52.7 MB/s)
+Fetched 183 MB in 2s (79.2 MB/s)
debconf: delaying package configuration, since apt-utils is not installed
Selecting previously unselected package libbsd0: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 ... 19195 files and directories currently installed.)
@@ -1596,7 +1630,8 @@
fakeroot is already the newest version (1.23-1).
0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
I: Building the package
-I: Running cd /build/openbabel-2.4.1+dfsg/ && 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 > ../openbabel_2.4.1+dfsg-3_source.changes
+hostname: Name or service not known
+I: Running cd /build/openbabel-2.4.1+dfsg/ && 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 > ../openbabel_2.4.1+dfsg-3_source.changes
dpkg-buildpackage: info: source package openbabel
dpkg-buildpackage: info: source version 2.4.1+dfsg-3
dpkg-buildpackage: info: source distribution unstable
@@ -1740,7 +1775,7 @@
debian/rules override_dh_auto_build
make[1]: Entering directory '/build/openbabel-2.4.1+dfsg'
dh_auto_build
- cd builddir && make -j15 "INSTALL=install --strip-program=true"
+ cd builddir && make -j16 "INSTALL=install --strip-program=true"
make[2]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
/usr/bin/cmake -S/build/openbabel-2.4.1+dfsg -B/build/openbabel-2.4.1+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/openbabel-2.4.1+dfsg/builddir/CMakeFiles /build/openbabel-2.4.1+dfsg/builddir/CMakeFiles/progress.marks
@@ -1757,99 +1792,99 @@
make -f src/formats/libinchi/CMakeFiles/inchi.dir/build.make src/formats/libinchi/CMakeFiles/inchi.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_io.o
-[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiisot.o
-[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichican2.o
-[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicans.o
[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichilnct.o
[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichi_bns.o
-[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimak2.o
+[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichican2.o
+[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicano.o
+[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiisot.o
+[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap1.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichi_bns.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichi_bns.c
+[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicans.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichi_io.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichi_io.c
+[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimake.o
+[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimak2.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichican2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichican2.c
+[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap2.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichicano.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichicano.c
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichicans.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichicans.c
-[ 0%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap1.o
-[ 1%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichicano.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichi_bns.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichi_bns.c
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiisot.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiisot.c
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichilnct.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichilnct.c
+[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap4.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimak2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimak2.c
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimap1.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimap1.c
-[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimake.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichicano.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichicano.c
-[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap2.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimake.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimake.c
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimap2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimap2.c
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimap1.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimap1.c
Scanning dependencies of target openbabel
-[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichimap4.o
+[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichinorm.o
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimap2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimap2.c
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichimap4.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichimap4.c
-[ 2%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichinorm.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichinorm.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichinorm.c
-[ 3%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiparm.o
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiparm.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiparm.c
-[ 3%] Building CXX object src/CMakeFiles/openbabel.dir/alias.o
+[ 2%] Building CXX object src/CMakeFiles/openbabel.dir/alias.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/alias.o -c /build/openbabel-2.4.1+dfsg/src/alias.cpp
-[ 3%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt1.o
+[ 3%] Building CXX object src/CMakeFiles/openbabel.dir/atom.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/atom.o -c /build/openbabel-2.4.1+dfsg/src/atom.cpp
+[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiparm.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiparm.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiparm.c
+[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt1.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiprt1.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiprt1.c
-[ 3%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt2.o
+[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt2.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiprt2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiprt2.c
-[ 3%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt3.o
+[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiprt3.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiprt3.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiprt3.c
-[ 3%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiqueu.o
+[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiqueu.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiqueu.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiqueu.c
-[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiread.o
+[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiread.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiread.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiread.c
-[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichiring.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichiring.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichiring.c
-[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr1.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr1.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr1.c
-[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr2.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr2.c
-[ 4%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr3.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr3.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr3.c
-[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr4.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr4.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr4.c
-[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr5.o
+[ 6%] Building CXX object src/CMakeFiles/openbabel.dir/base.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/base.o -c /build/openbabel-2.4.1+dfsg/src/base.cpp
+[ 6%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr5.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr5.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr5.c
-[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr6.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr6.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr6.c
-[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichirvr7.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichirvr7.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichirvr7.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichisort.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichisort.c
-[ 5%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichister.o
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+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/bitvec.o -c /build/openbabel-2.4.1+dfsg/src/bitvec.cpp
+[ 6%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/ichister.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichister.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichister.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ichitaut.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ichitaut.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ikey_base26.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ikey_base26.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/ikey_dll.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/ikey_dll.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/inchi_dll.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/inchi_dll.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/inchi_dll_a.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/inchi_dll_a.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/inchi_dll_a2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/inchi_dll_a2.c
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/inchi_dll_main.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/inchi_dll_main.c
-[ 7%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/runichi.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/runichi.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/runichi.c
-[ 7%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/sha2.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/sha2.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/sha2.c
-[ 7%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/strutil.o
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cd /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi && /usr/bin/cc -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -fPIC -o CMakeFiles/inchi.dir/strutil.o -c /build/openbabel-2.4.1+dfsg/src/formats/libinchi/strutil.c
-[ 8%] Building C object src/formats/libinchi/CMakeFiles/inchi.dir/util.o
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-[ 9%] Building CXX object src/CMakeFiles/openbabel.dir/bond.o
+[ 8%] Building CXX object src/CMakeFiles/openbabel.dir/bond.o
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[ 9%] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/bondtyper.o -c /build/openbabel-2.4.1+dfsg/src/bondtyper.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/builder.o
@@ -1880,6 +1915,18 @@
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+[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.o
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+[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.o
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+[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/locale.o
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+[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/openbabel.dir/mcdlutil.o -c /build/openbabel-2.4.1+dfsg/src/mcdlutil.cpp
/build/openbabel-2.4.1+dfsg/src/formats/libinchi/strutil.c: In function 'WriteOrigAtomDataToSDfile':
/build/openbabel-2.4.1+dfsg/src/formats/libinchi/strutil.c:4463:39: warning: '%3d' directive writing between 3 and 10 bytes into a region of size 9 [-Wformat-overflow=]
sprintf( entry, " %3d %3d", i+1, (int)at[i].charge );
@@ -1909,29 +1956,10 @@
^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.o
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-[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.o
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-[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.o
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-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
+make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake --color=
-make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
-make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
-make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
-make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
+make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
+make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/xtcformat.dir/build.make src/formats/CMakeFiles/xtcformat.dir/depend
-make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
+make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
+make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/xtcformat.dir/build.make src/formats/CMakeFiles/xtcformat.dir/depend
+make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
+make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
+make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xtcformat.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target plugin_descriptors
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target plugin_fingerprints
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
+make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
-make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target plugin_forcefields
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target xyzformat
-Scanning dependencies of target yasaraformat
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
Scanning dependencies of target cmlreactformat
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Scanning dependencies of target xtcformat
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-Scanning dependencies of target pdbqtformat
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-Scanning dependencies of target plugin_fingerprints
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target chemdrawcdx
+Scanning dependencies of target xyzformat
+Scanning dependencies of target xmlformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target cmlformat
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-make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
-Scanning dependencies of target plugin_descriptors
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
Scanning dependencies of target viewmolformat
+[ 23%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
+make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/cansmidescriptor.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/xtcformat.dir/build.make src/formats/CMakeFiles/xtcformat.dir/build
-make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
-Scanning dependencies of target chemdrawcdx
-Scanning dependencies of target plugin_forcefields
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target cmlformat
+[ 23%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target xmlformat
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-[ 23%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xyzformat.dir/xyzformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xyzformat.cpp
-Scanning dependencies of target pcmodelformat
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
-[ 24%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/cmlreactformat.cpp
-[ 24%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o
+make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
+[ 23%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o
+[ 23%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.o
+Scanning dependencies of target plugin_ops
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/cmpdfilter.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/groupcontrib.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 25%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/filters.cpp
+[ 23%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o -c /build/openbabel-2.4.1+dfsg/src/fingerprints/finger2.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/cansmidescriptor.cpp
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
-make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
+make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target yasaraformat
+[ 23%] Building CXX object src/formats/CMakeFiles/xtcformat.dir/xtcformat.o
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 23%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o
+make -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldgaff.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxtcformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xtcformat.dir/xtcformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xtcformat.cpp
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 25%] Building CXX object src/formats/CMakeFiles/xtcformat.dir/xtcformat.o
-make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
-make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
+make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 25%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.o
-[ 25%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.o
+[ 24%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxtcformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xtcformat.dir/xtcformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xtcformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/viewmolformat.dir/viewmolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/viewmolformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlformat.dir/xml/cmlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/cmlformat.cpp
-Scanning dependencies of target plugin_ops
-[ 25%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldgaff.cpp
-[ 25%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.o
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xmlformat.dir/xml/xmlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xmlformat.cpp
-make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
-[ 25%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o
+make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/cmlreactformat.cpp
+[ 24%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.o
+[ 24%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o -c /build/openbabel-2.4.1+dfsg/src/formats/chemdrawcdx.cpp
-[ 25%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.o
-[ 25%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.o
-[ 26%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xmlformat.dir/xml/xmlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xmlformat.cpp
Scanning dependencies of target plugin_charges
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/yasaraformat.dir/yasaraformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/yasaraformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pcmodelformat.dir/pcmodelformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pcmodelformat.cpp
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pdbqtformat.dir/pdbqtformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp
make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.o
+[ 24%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlformat.dir/xml/cmlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/cmlformat.cpp
+[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.o
+[ 25%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/addfilename.o -c /build/openbabel-2.4.1+dfsg/src/ops/addfilename.cpp
-[ 26%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xyzformat.dir/xyzformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xyzformat.cpp
+[ 25%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.o
+[ 25%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/yasaraformat.dir/yasaraformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/yasaraformat.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/viewmolformat.dir/viewmolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/viewmolformat.cpp
+[ 25%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/eem.o -c /build/openbabel-2.4.1+dfsg/src/charges/eem.cpp
-[ 26%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/cmpdfilter.cpp
-[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.o
+[ 25%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/inchidescriptor.cpp
+[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/addinindex.o -c /build/openbabel-2.4.1+dfsg/src/ops/addinindex.cpp
-[ 26%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
+[ 26%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/smartsdescriptors.cpp
+[ 26%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
/build/openbabel-2.4.1+dfsg/src/formats/yasaraformat.cpp: In member function 'virtual bool OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/build/openbabel-2.4.1+dfsg/src/formats/yasaraformat.cpp:562:32: warning: '__builtin___snprintf_chk' output truncated before the last format character [-Wformat-truncation=]
snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
@@ -2179,135 +2204,116 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 27%] Linking CXX shared module ../../lib/viewmolformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 27%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/groupcontrib.cpp
-[ 27%] Linking CXX shared module ../../lib/yasaraformat.so
+[ 26%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
+[ 26%] Linking CXX shared module ../../lib/yasaraformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target pdbqtformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 27%] Built target viewmolformat
-make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
+make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
+[ 27%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pdbqtformat.dir/pdbqtformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp
+[ 28%] Linking CXX shared module ../../lib/viewmolformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target outformat
+[ 28%] Built target yasaraformat
+make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
+[ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/addpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/addpolarh.cpp
+Scanning dependencies of target pcmodelformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
-/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp: In function 'void OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::ostream&, unsigned int)':
-/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:334:46: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
- snprintf(type_name, sizeof(type_name), " %-3s", tmp);
- ^~~~~~~
-In file included from /usr/include/stdio.h:873,
- from /usr/include/c++/8/cstdio:42,
- from /usr/include/c++/8/fstream:41,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/tokenst.h:28,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/base.h:29,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/atom.h:33,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/mol.h:42,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/obmolecformat.h:37,
- from /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:24:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
- return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- __bos (__s), __fmt, __va_arg_pack ());
- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:351:54: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
- snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
- ^~~~~~~
-In file included from /usr/include/stdio.h:873,
- from /usr/include/c++/8/cstdio:42,
- from /usr/include/c++/8/fstream:41,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/tokenst.h:28,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/base.h:29,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/atom.h:33,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/mol.h:42,
- from /build/openbabel-2.4.1+dfsg/include/openbabel/obmolecformat.h:37,
- from /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:24:
-/usr/include/x86_64-linux-gnu/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
- return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
- ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- __bos (__s), __fmt, __va_arg_pack ());
- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 27%] Built target yasaraformat
+[ 28%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pcmodelformat.dir/pcmodelformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pcmodelformat.cpp
+[ 28%] Linking CXX shared module ../../lib/xyzformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 28%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o -c /build/openbabel-2.4.1+dfsg/src/fingerprints/finger3.cpp
+[ 28%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/gasteiger.o -c /build/openbabel-2.4.1+dfsg/src/charges/gasteiger.cpp
+[ 28%] Linking CXX shared module ../../lib/xtcformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtcformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 28%] Linking CXX shared module ../lib/plugin_descriptors.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xtcformat.so CMakeFiles/xtcformat.dir/xtcformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 28%] Built target viewmolformat
+make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
+[ 28%] Built target xyzformat
make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
-[ 27%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.o
-[ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/addpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/addpolarh.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Doutformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/outformat.dir/outformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/outformat.cpp
-[ 27%] Linking CXX shared module ../../lib/pcmodelformat.so
-[ 27%] Linking CXX shared module ../../lib/xyzformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
+Scanning dependencies of target outformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target opendxformat
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 27%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.o
+[ 28%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Doutformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/outformat.dir/outformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/outformat.cpp
+[ 28%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dopendxformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/opendxformat.dir/opendxformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/opendxformat.cpp
-[ 27%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o -c /build/openbabel-2.4.1+dfsg/src/fingerprints/finger3.cpp
-[ 27%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/gasteiger.o -c /build/openbabel-2.4.1+dfsg/src/charges/gasteiger.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 27%] Built target pcmodelformat
+[ 28%] Built target plugin_descriptors
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
+[ 28%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o -c /build/openbabel-2.4.1+dfsg/src/fingerprints/fingerecfp.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target rsmiformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 28%] Built target xtcformat
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 27%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.o
-[ 27%] Built target xyzformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/rsmiformat.dir/rsmiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/rsmiformat.cpp
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
+[ 28%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/rsmiformat.dir/rsmiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/rsmiformat.cpp
Scanning dependencies of target msmsformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 28%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.o
+[ 29%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsmsformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/msmsformat.dir/msmsformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/msmsformat.cpp
-[ 28%] Linking CXX shared module ../../lib/xtcformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtcformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xtcformat.so CMakeFiles/xtcformat.dir/xtcformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 28%] Built target xtcformat
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
-[ 28%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o
+[ 29%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/addnonpolarh.cpp
Scanning dependencies of target msiformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 28%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.o
+[ 29%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/msiformat.dir/msiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/msiformat.cpp
-[ 28%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.o
+[ 29%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/none.o -c /build/openbabel-2.4.1+dfsg/src/charges/none.cpp
-[ 28%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/filters.cpp
-[ 28%] Linking CXX shared module ../../lib/outformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/outformat.so CMakeFiles/outformat.dir/outformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 29%] Linking CXX shared module ../../lib/xmlformat.so
+[ 30%] Linking CXX shared module ../../lib/xmlformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.o CMakeFiles/xmlformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 30%] Linking CXX shared module ../../lib/outformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/outformat.so CMakeFiles/outformat.dir/outformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 29%] Built target xmlformat
-[ 29%] Built target outformat
+[ 30%] Built target xmlformat
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake --color=
@@ -2315,66 +2321,98 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 29%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/inchidescriptor.cpp
-[ 29%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.o
+[ 30%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpqcformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mpqcformat.dir/mpqcformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mpqcformat.cpp
-[ 29%] Linking CXX shared module ../../lib/msmsformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 30%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/canonical.o -c /build/openbabel-2.4.1+dfsg/src/ops/canonical.cpp
+[ 30%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlreactformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 30%] Built target msmsformat
+[ 30%] Linking CXX shared module ../../lib/chemdrawcdx.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
+[ 30%] Built target outformat
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 30%] Linking CXX shared module ../../lib/pcmodelformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
Scanning dependencies of target mpdformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
+/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp: In function 'void OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::ostream&, unsigned int)':
+/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:334:46: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
+ snprintf(type_name, sizeof(type_name), " %-3s", tmp);
+ ^~~~~~~
+In file included from /usr/include/stdio.h:873,
+ from /usr/include/c++/8/cstdio:42,
+ from /usr/include/c++/8/fstream:41,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/tokenst.h:28,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/base.h:29,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/atom.h:33,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/mol.h:42,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/obmolecformat.h:37,
+ from /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:24:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
+ return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ __bos (__s), __fmt, __va_arg_pack ());
+ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+/build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:351:54: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
+ snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
+ ^~~~~~~
+In file included from /usr/include/stdio.h:873,
+ from /usr/include/c++/8/cstdio:42,
+ from /usr/include/c++/8/fstream:41,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/tokenst.h:28,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/base.h:29,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/atom.h:33,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/mol.h:42,
+ from /build/openbabel-2.4.1+dfsg/include/openbabel/obmolecformat.h:37,
+ from /build/openbabel-2.4.1+dfsg/src/formats/pdbqtformat.cpp:24:
+/usr/include/x86_64-linux-gnu/bits/stdio2.h:67:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
+ return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
+ ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+ __bos (__s), __fmt, __va_arg_pack ());
+ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 30%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/mmff94.o -c /build/openbabel-2.4.1+dfsg/src/charges/mmff94.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 30%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpdformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mpdformat.dir/mpdformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mpdformat.cpp
-[ 30%] Linking CXX shared module ../../lib/opendxformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 30%] Linking CXX shared module ../../lib/chemdrawcdx.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 30%] Built target chemdrawcdx
make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 30%] Linking CXX shared module ../../lib/opendxformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
+[ 31%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/canonical.o -c /build/openbabel-2.4.1+dfsg/src/ops/canonical.cpp
Scanning dependencies of target pointcloudformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 30%] Built target opendxformat
-[ 30%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o -c /build/openbabel-2.4.1+dfsg/src/fingerprints/fingerecfp.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 31%] Linking CXX shared module ../../lib/msmsformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 31%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pointcloudformat.dir/pointcloudformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pointcloudformat.cpp
+[ 31%] Built target pcmodelformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
-[ 30%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pointcloudformat.dir/pointcloudformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pointcloudformat.cpp
-[ 30%] Linking CXX shared module ../../lib/msiformat.so
Scanning dependencies of target mmcifformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/msiformat.so CMakeFiles/msiformat.dir/msiformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 30%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.o
+[ 31%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.o
+[ 31%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/changecell.o -c /build/openbabel-2.4.1+dfsg/src/ops/changecell.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/mmff94.o -c /build/openbabel-2.4.1+dfsg/src/charges/mmff94.cpp
+[ 31%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmcifformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mmcifformat.dir/mmcifformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mmcifformat.cpp
-[ 31%] Linking CXX shared module ../../lib/rsmiformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 31%] Built target msiformat
+[ 31%] Built target opendxformat
make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color=
@@ -2384,130 +2422,124 @@
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 31%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdffformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mdffformat.dir/mdffformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mdffformat.cpp
-[ 31%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/changecell.o -c /build/openbabel-2.4.1+dfsg/src/ops/changecell.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 31%] Built target rsmiformat
+[ 31%] Built target msmsformat
make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
-[ 32%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o
-[ 32%] Linking CXX shared module ../../lib/mpqcformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o -c /build/openbabel-2.4.1+dfsg/src/descriptors/smartsdescriptors.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
+[ 32%] Linking CXX shared module ../lib/plugin_fingerprints.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
Scanning dependencies of target xedformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 32%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxedformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xedformat.dir/xedformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xedformat.cpp
-[ 33%] Linking CXX shared module ../../lib/mpdformat.so
-[ 33%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlreactformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 34%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/fromfile.o -c /build/openbabel-2.4.1+dfsg/src/charges/fromfile.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 32%] Built target plugin_fingerprints
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
+[ 32%] Linking CXX shared module ../../lib/msiformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/msiformat.so CMakeFiles/msiformat.dir/msiformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target lpmdformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 35%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.o
+[ 33%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlpmdformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/lpmdformat.dir/lpmdformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/lpmdformat.cpp
-[ 35%] Built target mpqcformat
+[ 33%] Linking CXX shared module ../../lib/mpqcformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 33%] Built target msiformat
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target groformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 35%] Built target mpdformat
+[ 34%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/groformat.dir/groformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/groformat.cpp
+[ 35%] Linking CXX shared module ../../lib/rsmiformat.so
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 35%] Built target mpqcformat
make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
-[ 36%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/groformat.dir/groformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/groformat.cpp
+[ 36%] Linking CXX shared module ../../lib/mpdformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
Scanning dependencies of target gausszmatformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 36%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.o
+[ 37%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/fromfile.o -c /build/openbabel-2.4.1+dfsg/src/charges/fromfile.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 37%] Building CXX object src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gausszmatformat.dir/gausszmatformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gausszmatformat.cpp
-[ 36%] Linking CXX shared module ../../lib/pdbqtformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 36%] Linking CXX shared module ../../lib/pointcloudformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
+[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/delpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/delpolarh.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 36%] Linking CXX shared module ../lib/plugin_descriptors.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 36%] Built target pdbqtformat
+[ 37%] Built target rsmiformat
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Linking CXX shared module ../../lib/cmlreactformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
Scanning dependencies of target gausscubeformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Built target mpdformat
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Linking CXX shared module ../lib/plugin_fingerprints.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 37%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gausscubeformat.dir/gausscubeformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gausscubeformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Built target pointcloudformat
make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o CMakeFiles/cmlreactformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
-[ 37%] Built target plugin_descriptors
-make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
+[ 37%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gausscubeformat.dir/gausscubeformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gausscubeformat.cpp
Scanning dependencies of target adfformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/adfformat.dir/adfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/adfformat.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Linking CXX shared module ../../lib/pointcloudformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
+[ 37%] Built target cmlreactformat
+make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
Scanning dependencies of target cdxmlformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/adfformat.dir/adfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/adfformat.cpp
-[ 37%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 37%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldghemical.cpp
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/cdxmlformat.cpp
-[ 37%] Built target plugin_fingerprints
+[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/delnonpolarh.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Built target pointcloudformat
make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
-[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/delpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/delpolarh.cpp
Scanning dependencies of target daltonformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 37%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddaltonformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/daltonformat.dir/daltonformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/daltonformat.cpp
-[ 37%] Linking CXX shared module ../../lib/cmlreactformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.o CMakeFiles/cmlreactformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 37%] Linking CXX shared module ../../lib/xedformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xedformat.so CMakeFiles/xedformat.dir/xedformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 37%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/eqeq.o -c /build/openbabel-2.4.1+dfsg/src/charges/eqeq.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 37%] Built target xedformat
make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
@@ -2517,10 +2549,26 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 37%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/asciiformat.dir/asciiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/asciiformat.cpp
-[ 37%] Built target cmlreactformat
+[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/gen2D.o -c /build/openbabel-2.4.1+dfsg/src/ops/gen2D.cpp
+[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/fillUC.o -c /build/openbabel-2.4.1+dfsg/src/ops/fillUC.cpp
+[ 37%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/eqeq.o -c /build/openbabel-2.4.1+dfsg/src/charges/eqeq.cpp
+[ 37%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldghemical.cpp
+[ 37%] Linking CXX shared module ../../lib/gausszmatformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 37%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cdxmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
+[ 37%] Linking CXX shared module ../../lib/pdbqtformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 37%] Built target gausszmatformat
make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
@@ -2530,13 +2578,8 @@
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 37%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drxnformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/rxnformat.dir/rxnformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/rxnformat.cpp
-[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o -c /build/openbabel-2.4.1+dfsg/src/ops/delnonpolarh.cpp
-[ 37%] Linking CXX shared module ../../lib/gausszmatformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Built target gausszmatformat
+[ 37%] Built target pdbqtformat
make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color=
@@ -2544,43 +2587,53 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.o
[ 37%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrystal09format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/crystal09format.dir/crystal09format.o -c /build/openbabel-2.4.1+dfsg/src/formats/crystal09format.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cdxmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
-[ 37%] Linking CXX shared module ../../lib/daltonformat.so
+[ 38%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/asciipainter.cpp
+[ 38%] Linking CXX shared module ../../lib/daltonformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 39%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/forcefield.o -c /build/openbabel-2.4.1+dfsg/src/ops/forcefield.cpp
+[ 39%] Linking CXX shared module ../../lib/mdffformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Linking CXX shared module ../../lib/groformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/groformat.so CMakeFiles/groformat.dir/groformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 37%] Built target daltonformat
+[ 39%] Built target daltonformat
make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
-[ 37%] Linking CXX shared module ../../lib/mmcifformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
Scanning dependencies of target chemkinformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.o
+[ 39%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemkinformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chemkinformat.dir/chemkinformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/chemkinformat.cpp
-[ 37%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cmlformat.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Built target groformat
+[ 39%] Built target mdffformat
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target jaguarformat
-[ 37%] Built target mmcifformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 39%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/jaguarformat.dir/jaguarformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/jaguarformat.cpp
+[ 39%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/gen3d.o -c /build/openbabel-2.4.1+dfsg/src/ops/gen3d.cpp
+[ 39%] Linking CXX shared module ../../lib/adfformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/adfformat.so CMakeFiles/adfformat.dir/adfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 39%] Linking CXX shared module ../../lib/mmcifformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
+[ 39%] Linking CXX shared module ../../lib/groformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/groformat.so CMakeFiles/groformat.dir/groformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 39%] Built target adfformat
make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
@@ -2588,128 +2641,113 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/jaguarformat.dir/jaguarformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/jaguarformat.cpp
-[ 37%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/gen2D.o -c /build/openbabel-2.4.1+dfsg/src/ops/gen2D.cpp
-[ 37%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.o
+[ 39%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Daoforceformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/aoforceformat.dir/aoforceformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/aoforceformat.cpp
-[ 38%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/asciipainter.cpp
-[ 38%] Linking CXX shared module ../../lib/lpmdformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 38%] Linking CXX shared module ../../lib/mdffformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 39%] Linking CXX shared module ../../lib/cdxmlformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
-[ 39%] Built target lpmdformat
+[ 39%] Built target groformat
make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o CMakeFiles/cdxmlformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 40%] Linking CXX shared module ../../lib/cdxmlformat.so
Scanning dependencies of target pubchem
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
-[ 39%] Linking CXX shared module ../../lib/rxnformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 39%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.o
+[ 40%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pubchem.dir/xml/pubchem.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/pubchem.cpp
-[ 39%] Built target mdffformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.o CMakeFiles/cdxmlformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 40%] Linking CXX shared module ../../lib/lpmdformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
+[ 40%] Built target mmcifformat
make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
-[ 39%] Linking CXX shared module ../../lib/adfformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
+[ 40%] Linking CXX shared module ../../lib/cmlformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
Scanning dependencies of target turbomoleformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/adfformat.so CMakeFiles/adfformat.dir/adfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.o CMakeFiles/cmlformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 39%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.o
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 40%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/turbomoleformat.dir/turbomoleformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/turbomoleformat.cpp
+[ 40%] Linking CXX shared module ../../lib/asciiformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 39%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/fillUC.o -c /build/openbabel-2.4.1+dfsg/src/ops/fillUC.cpp
-[ 39%] Built target rxnformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 40%] Built target lpmdformat
make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
-[ 39%] Built target cdxmlformat
-make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
Scanning dependencies of target abinitformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 39%] Linking CXX shared module ../../lib/asciiformat.so
-Scanning dependencies of target acesformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
+[ 41%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/abinitformat.dir/abinitformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/abinitformat.cpp
+[ 41%] Built target cdxmlformat
+make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 39%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.o
-[ 40%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/acesformat.dir/acesformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/acesformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/abinitformat.dir/abinitformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/abinitformat.cpp
-[ 40%] Built target adfformat
+[ 41%] Built target cmlformat
make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target alchemyformat
+Scanning dependencies of target acesformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
-[ 40%] Linking CXX shared module ../../lib/cmlformat.so
+make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
-[ 40%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/alchemyformat.dir/alchemyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/alchemyformat.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.o CMakeFiles/cmlformat.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 40%] Built target asciiformat
+[ 41%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/acesformat.dir/acesformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/acesformat.cpp
+Scanning dependencies of target alchemyformat
+[ 41%] Built target asciiformat
make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target smilesformat
+[ 41%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.o
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
-[ 41%] Linking CXX shared module ../../lib/crystal09format.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/alchemyformat.dir/alchemyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/alchemyformat.cpp
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 41%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmilesformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/smilesformat.dir/smilesformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/smilesformat.cpp
-[ 41%] Built target cmlformat
+[ 41%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/largest.o -c /build/openbabel-2.4.1+dfsg/src/ops/largest.cpp
+[ 41%] Linking CXX shared module ../../lib/rxnformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 41%] Linking CXX shared module ../../lib/gausscubeformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 41%] Built target rxnformat
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
-[ 41%] Linking CXX shared module ../../lib/jaguarformat.so
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target CSRformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 41%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/CSRformat.dir/CSRformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/CSRformat.cpp
-[ 41%] Linking CXX shared module ../../lib/gausscubeformat.so
+[ 41%] Linking CXX shared module ../../lib/jaguarformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
-[ 41%] Built target crystal09format
+[ 41%] Built target gausscubeformat
make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target confabreport
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
@@ -2721,32 +2759,38 @@
make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 41%] Built target gausscubeformat
-make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
Scanning dependencies of target pdbformat
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target painterformat
[ 41%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.o
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pdbformat.dir/pdbformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pdbformat.cpp
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 41%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/painterformat.dir/painterformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/painterformat.cpp
+[ 41%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/loader.o -c /build/openbabel-2.4.1+dfsg/src/ops/loader.cpp
[ 41%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pubchem.dir/xml/xml.o -c /build/openbabel-2.4.1+dfsg/src/formats/xml/xml.cpp
[ 41%] Linking CXX shared module ../../lib/turbomoleformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 42%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/forcefield.o -c /build/openbabel-2.4.1+dfsg/src/ops/forcefield.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 42%] Built target turbomoleformat
+[ 41%] Built target turbomoleformat
+make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target painterformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 41%] Building CXX object src/formats/CMakeFiles/painterformat.dir/painterformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/painterformat.dir/painterformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/painterformat.cpp
+[ 41%] Linking CXX shared module ../../lib/alchemyformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 42%] Linking CXX shared module ../../lib/crystal09format.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 42%] Built target alchemyformat
make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
@@ -2756,20 +2800,11 @@
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 42%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmileyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/smileyformat.dir/smileyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/smileyformat.cpp
-[ 42%] Linking CXX shared module ../../lib/CSRformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 42%] Linking CXX shared module ../../lib/alchemyformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 42%] Linking CXX shared module ../../lib/aoforceformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 42%] Linking CXX shared module ../../lib/abinitformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 42%] Built target CSRformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 42%] Built target crystal09format
make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake --color=
@@ -2779,55 +2814,59 @@
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 43%] Building CXX object src/formats/CMakeFiles/povrayformat.dir/povrayformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpovrayformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/povrayformat.dir/povrayformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/povrayformat.cpp
+[ 43%] Linking CXX shared module ../../lib/abinitformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 43%] Linking CXX shared module ../../lib/acesformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 43%] Built target alchemyformat
+[ 43%] Linking CXX shared module ../../lib/CSRformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
+[ 43%] Built target aoforceformat
make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/acesformat.so CMakeFiles/acesformat.dir/acesformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+Scanning dependencies of target shelxformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 43%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/shelxformat.dir/shelxformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/shelxformat.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 43%] Built target abinitformat
make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target shelxformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target xsfformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
+[ 43%] Linking CXX shared module ../../lib/acesformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 43%] Built target aoforceformat
-[ 43%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/shelxformat.dir/shelxformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/shelxformat.cpp
+[ 43%] Built target CSRformat
make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/acesformat.so CMakeFiles/acesformat.dir/acesformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 43%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxsfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/xsfformat.dir/xsfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/xsfformat.cpp
Scanning dependencies of target inchiformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 43%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/inchiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/inchiformat.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 43%] Built target acesformat
make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake --color=
-[ 43%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/inchiformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/inchiformat.cpp
Scanning dependencies of target mdlformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 43%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mdlformat.dir/mdlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mdlformat.cpp
-[ 43%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/painterformat.dir/__/depict/commandpainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/commandpainter.cpp
/build/openbabel-2.4.1+dfsg/src/formats/pdbformat.cpp: In member function 'virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/build/openbabel-2.4.1+dfsg/src/formats/pdbformat.cpp:623:52: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
snprintf(type_name, sizeof(type_name), " %-3s", tmp);
@@ -2881,33 +2920,70 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 43%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldmmff94.cpp
-[ 43%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/gen3d.o -c /build/openbabel-2.4.1+dfsg/src/ops/gen3d.cpp
-[ 44%] Linking CXX shared module ../../lib/pubchem.so
+[ 43%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opsplit.o -c /build/openbabel-2.4.1+dfsg/src/ops/opsplit.cpp
+[ 44%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/optransform.o -c /build/openbabel-2.4.1+dfsg/src/ops/optransform.cpp
+[ 44%] Building CXX object src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/painterformat.dir/__/depict/commandpainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/commandpainter.cpp
+[ 45%] Linking CXX shared module ../../lib/pubchem.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.o CMakeFiles/pubchem.dir/xml/xml.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm -lxml2 ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 44%] Linking CXX shared module ../../lib/confabreport.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/confabreport.so CMakeFiles/confabreport.dir/confabreport.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Linking CXX shared module ../../lib/painterformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/painterformat.so CMakeFiles/painterformat.dir/painterformat.o CMakeFiles/painterformat.dir/__/depict/commandpainter.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target confabreport
+[ 45%] Built target pubchem
make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target posformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
-[ 45%] Built target pubchem
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 45%] Linking CXX shared module ../../lib/confabreport.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
+[ 45%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dposformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/posformat.dir/posformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/posformat.cpp
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+[ 46%] Linking CXX shared module ../../lib/painterformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
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+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Built target confabreport
make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
+[ 46%] Built target painterformat
+make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target lmpdatformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target fastsearchformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/lmpdatformat.dir/lmpdatformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/lmpdatformat.cpp
+[ 46%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fastsearchformat.dir/fastsearchformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fastsearchformat.cpp
+[ 46%] Linking CXX shared module ../../lib/shelxformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 46%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefieldmmff94.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Built target shelxformat
+make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target thermoformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/thermoformat.dir/thermoformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/thermoformat.cpp
/build/openbabel-2.4.1+dfsg/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, char*, bool)':
/build/openbabel-2.4.1+dfsg/src/formats/smilesformat.cpp:2989:19: warning: '%d' directive writing between 1 and 5 bytes into a region of size 4 [-Wformat-overflow=]
sprintf(iso,"%d",atom->GetIsotope());
@@ -2944,44 +3020,13 @@
~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 45%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dposformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/posformat.dir/posformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/posformat.cpp
-Scanning dependencies of target lmpdatformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/lmpdatformat.dir/lmpdatformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/lmpdatformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target painterformat
-make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target fastsearchformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fastsearchformat.dir/fastsearchformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fastsearchformat.cpp
-[ 45%] Linking CXX shared module ../../lib/shelxformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Linking CXX shared module ../../lib/xsfformat.so
+[ 46%] Linking CXX shared module ../../lib/xsfformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target shelxformat
-make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target thermoformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target xsfformat
-[ 45%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/thermoformat.dir/thermoformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/thermoformat.cpp
+[ 46%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/partialcharges.o -c /build/openbabel-2.4.1+dfsg/src/ops/partialcharges.cpp
+[ 46%] Built target xsfformat
make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
@@ -2989,38 +3034,72 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.o
+[ 46%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgulpformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gulpformat.dir/gulpformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gulpformat.cpp
-[ 45%] Linking CXX shared module ../../lib/chemkinformat.so
+[ 46%] Linking CXX shared module ../../lib/chemkinformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/largest.o -c /build/openbabel-2.4.1+dfsg/src/ops/largest.cpp
+[ 46%] Linking CXX shared module ../../lib/povrayformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 46%] Linking CXX shared module ../../lib/pdbformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 46%] Linking CXX shared module ../../lib/posformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/posformat.so CMakeFiles/posformat.dir/posformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target chemkinformat
+[ 46%] Built target povrayformat
make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
+[ 46%] Built target chemkinformat
+make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
Scanning dependencies of target mmodformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Linking CXX shared module ../../lib/povrayformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
-[ 45%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmodformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mmodformat.dir/mmodformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mmodformat.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target povrayformat
-make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
Scanning dependencies of target mol2format
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
+[ 46%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.o
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmodformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mmodformat.dir/mmodformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mmodformat.cpp
+[ 46%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/getinchi.o -c /build/openbabel-2.4.1+dfsg/src/formats/getinchi.cpp
+[ 46%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmol2format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mol2format.dir/mol2format.o -c /build/openbabel-2.4.1+dfsg/src/formats/mol2format.cpp
+[ 46%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.o
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/readconformers.o -c /build/openbabel-2.4.1+dfsg/src/ops/readconformers.cpp
+[ 46%] Built target posformat
+make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color=
+[ 46%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/sort.o -c /build/openbabel-2.4.1+dfsg/src/ops/sort.cpp
+Scanning dependencies of target MNAformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/MNAformat.dir/MNAformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/MNAformat.cpp
+[ 46%] Built target pdbformat
+make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
+Scanning dependencies of target png2format
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 46%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/png2format.dir/png2format.o -c /build/openbabel-2.4.1+dfsg/src/formats/png2format.cpp
+[ 46%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/__/ops/unique.o -c /build/openbabel-2.4.1+dfsg/src/ops/unique.cpp
/build/openbabel-2.4.1+dfsg/src/formats/lmpdatformat.cpp: In member function 'virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/build/openbabel-2.4.1+dfsg/src/formats/lmpdatformat.cpp:528:10: warning: '%11s' directive output may be truncated writing between 11 and 32767 bytes into a region of size between 32695 and 32736 [-Wformat-truncation=]
"%-4d %4d %4d %4d %4d %4d # %11s\n",
@@ -3142,6 +3221,8 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
+[ 46%] Linking CXX shared module ../../lib/thermoformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/build/openbabel-2.4.1+dfsg/src/formats/mdlformat.cpp: In member function 'std::__cxx11::string OpenBabel::MDLFormat::GetTimeDate()':
/build/openbabel-2.4.1+dfsg/src/formats/mdlformat.cpp:1652:22: warning: '%02d' directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
@@ -3161,52 +3242,46 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 45%] Linking CXX shared module ../../lib/posformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
-[ 45%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/getinchi.o -c /build/openbabel-2.4.1+dfsg/src/formats/getinchi.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/posformat.so CMakeFiles/posformat.dir/posformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Linking CXX shared module ../../lib/pdbformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Linking CXX shared module ../../lib/thermoformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 45%] Built target posformat
-make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target MNAformat
+[ 46%] Built target thermoformat
+make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target balstformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
+make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target pdbformat
-make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
+[ 46%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/balstformat.dir/balstformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/balstformat.cpp
+[ 46%] Linking CXX shared module ../../lib/gulpformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 47%] Linking CXX shared module ../../lib/smileyformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 47%] Built target gulpformat
+make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
-[ 45%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/MNAformat.dir/MNAformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/MNAformat.cpp
-Scanning dependencies of target png2format
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target dmolformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
+make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/png2format.dir/png2format.o -c /build/openbabel-2.4.1+dfsg/src/formats/png2format.cpp
+[ 47%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/dmolformat.dir/dmolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/dmolformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target thermoformat
-make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
+[ 47%] Built target smileyformat
+make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
-[ 45%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/inchiformat.dir/__/ops/unique.o -c /build/openbabel-2.4.1+dfsg/src/ops/unique.cpp
-Scanning dependencies of target balstformat
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target castepformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
+make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/balstformat.dir/balstformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/balstformat.cpp
+[ 47%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/castepformat.dir/castepformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/castepformat.cpp
/build/openbabel-2.4.1+dfsg/src/formats/mol2format.cpp: In member function 'virtual bool OpenBabel::MOL2Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/build/openbabel-2.4.1+dfsg/src/formats/mol2format.cpp:677:35: warning: '%-6s' directive output may be truncated writing between 6 and 32767 bytes into a region of size between 32756 and 32760 [-Wformat-truncation=]
snprintf(buffer,BUFF_SIZE,"%7d %-6s %9.4f %9.4f %9.4f %-5s %3s %-8s %9.4f",
@@ -3247,515 +3322,486 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 45%] Linking CXX shared module ../../lib/mmodformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
-[ 45%] Linking CXX shared module ../../lib/gulpformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Built target mmodformat
-make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target dmolformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 45%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/dmolformat.dir/dmolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/dmolformat.cpp
-[ 46%] Linking CXX shared module ../../lib/smileyformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 46%] Built target gulpformat
-make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target castepformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 46%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/castepformat.dir/castepformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/castepformat.cpp
+[ 47%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opisomorph.o -c /build/openbabel-2.4.1+dfsg/src/ops/opisomorph.cpp
+[ 47%] Linking CXX shared module ../../lib/fastsearchformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 47%] Linking CXX shared module ../../lib/lmpdatformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 47%] Linking CXX shared module ../../lib/MNAformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 46%] Built target smileyformat
+[ 47%] Built target fastsearchformat
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
-[ 46%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/loader.o -c /build/openbabel-2.4.1+dfsg/src/ops/loader.cpp
Scanning dependencies of target gamessukformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 47%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.o
+[ 48%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessukformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gamessukformat.dir/gamessukformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gamessukformat.cpp
-[ 47%] Linking CXX shared module ../../lib/lmpdatformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 47%] Linking CXX shared module ../../lib/fastsearchformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 47%] Linking CXX shared module ../../lib/balstformat.so
+[ 48%] Linking CXX shared module ../../lib/balstformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/balstformat.so CMakeFiles/balstformat.dir/balstformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 47%] Built target lmpdatformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 49%] Linking CXX shared module ../../lib/inchiformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
+[ 49%] Built target MNAformat
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 48%] Linking CXX shared module ../../lib/inchiformat.so
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.o CMakeFiles/inchiformat.dir/getinchi.o CMakeFiles/inchiformat.dir/__/ops/unique.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 49%] Built target lmpdatformat
+make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
Scanning dependencies of target fpsformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 49%] Linking CXX shared module ../../lib/mol2format.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
-[ 49%] Linking CXX shared module ../../lib/MNAformat.so
-[ 49%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfpsformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fpsformat.dir/fpsformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fpsformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MNAformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mol2format.so CMakeFiles/mol2format.dir/mol2format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 49%] Built target fastsearchformat
-make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
Scanning dependencies of target nulformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 49%] Linking CXX shared module ../../lib/mmodformat.so
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 49%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfpsformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fpsformat.dir/fpsformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fpsformat.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 49%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnulformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/nulformat.dir/nulformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/nulformat.cpp
+[ 49%] Linking CXX shared module ../../lib/dmolformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 49%] Built target mol2format
+[ 49%] Built target balstformat
make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color=
-[ 49%] Built target MNAformat
-make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 49%] Building CXX object src/formats/CMakeFiles/nulformat.dir/nulformat.o
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnulformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/nulformat.dir/nulformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/nulformat.cpp
Scanning dependencies of target gamessformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 49%] Built target balstformat
+[ 49%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gamessformat.dir/gamessformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gamessformat.cpp
+[ 49%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/png2format.dir/__/depict/cairopainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/cairopainter.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 49%] Built target inchiformat
+make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target unichemformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 49%] Built target mmodformat
make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
-[ 49%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gamessformat.dir/gamessformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gamessformat.cpp
[ 50%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/unichemformat.dir/unichemformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/unichemformat.cpp
Scanning dependencies of target molreport
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/unichemformat.dir/unichemformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/unichemformat.cpp
make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 51%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/molreport.dir/molreport.o -c /build/openbabel-2.4.1+dfsg/src/formats/molreport.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 51%] Built target inchiformat
+[ 50%] Built target dmolformat
make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
+[ 51%] Building CXX object src/formats/CMakeFiles/molreport.dir/molreport.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/molreport.dir/molreport.o -c /build/openbabel-2.4.1+dfsg/src/formats/molreport.cpp
Scanning dependencies of target stlformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 51%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dstlformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/stlformat.dir/stlformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/stlformat.cpp
-[ 51%] Linking CXX shared module ../../lib/dmolformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 51%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/png2format.dir/__/depict/cairopainter.o -c /build/openbabel-2.4.1+dfsg/src/depict/cairopainter.cpp
-[ 51%] Linking CXX shared module ../../lib/nulformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/nulformat.so CMakeFiles/nulformat.dir/nulformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 52%] Linking CXX shared module ../../lib/mol2format.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mol2format.so CMakeFiles/mol2format.dir/mol2format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 51%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opsplit.o -c /build/openbabel-2.4.1+dfsg/src/ops/opsplit.cpp
-[ 51%] Built target dmolformat
+[ 52%] Linking CXX shared module ../../lib/nulformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nulformat.dir/link.txt --verbose=1
+[ 53%] Linking CXX shared module ../../lib/castepformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
+[ 53%] Built target mol2format
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/castepformat.so CMakeFiles/castepformat.dir/castepformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/nulformat.so CMakeFiles/nulformat.dir/nulformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target titleformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 51%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.o
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 53%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtitleformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/titleformat.dir/titleformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/titleformat.cpp
-[ 51%] Built target nulformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 53%] Built target nulformat
make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target mopacformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 52%] Linking CXX shared module ../../lib/castepformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
-[ 52%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mopacformat.dir/mopacformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mopacformat.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/castepformat.so CMakeFiles/castepformat.dir/castepformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 53%] Linking CXX shared module ../../lib/fpsformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 53%] Linking CXX shared module ../../lib/png2format.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
-[ 53%] Linking CXX shared module ../../lib/molreport.so
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/png2format.so CMakeFiles/png2format.dir/png2format.o CMakeFiles/png2format.dir/__/depict/cairopainter.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/molreport.so CMakeFiles/molreport.dir/molreport.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Built target fpsformat
-make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 53%] Built target castepformat
+make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/png2format.so CMakeFiles/png2format.dir/png2format.o CMakeFiles/png2format.dir/__/depict/cairopainter.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 53%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/mopacformat.dir/mopacformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/mopacformat.cpp
Scanning dependencies of target nwchemformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 53%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/nwchemformat.dir/nwchemformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/nwchemformat.cpp
+[ 54%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/ophighlight.o -c /build/openbabel-2.4.1+dfsg/src/ops/ophighlight.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 54%] Built target png2format
+make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
Scanning dependencies of target APIInterface
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/nwchemformat.dir/nwchemformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/nwchemformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.o
+[ 54%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/APIInterface.dir/APIInterface.o -c /build/openbabel-2.4.1+dfsg/src/formats/APIInterface.cpp
-[ 53%] Built target png2format
+[ 55%] Linking CXX shared module ../../lib/fpsformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 55%] Linking CXX shared module ../../lib/APIInterface.so
+[ 55%] Built target fpsformat
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
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Scanning dependencies of target qchemformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.o
+[ 55%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dqchemformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/qchemformat.dir/qchemformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/qchemformat.cpp
-[ 53%] Linking CXX shared module ../../lib/unichemformat.so
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
-[ 53%] Built target molreport
+[ 55%] Linking CXX shared module ../../lib/titleformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
+[ 55%] Built target APIInterface
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/titleformat.so CMakeFiles/titleformat.dir/titleformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target svgformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.o
+[ 55%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.o
+[ 55%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/xout.o -c /build/openbabel-2.4.1+dfsg/src/ops/xout.cpp
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsvgformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/svgformat.dir/svgformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/svgformat.cpp
+[ 55%] Linking CXX shared module ../../lib/stlformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
+[ 55%] Linking CXX shared module ../../lib/molreport.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
+[ 55%] Linking CXX shared module ../../lib/unichemformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/stlformat.so CMakeFiles/stlformat.dir/stlformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
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+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 55%] Built target titleformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Built target unichemformat
+[ 55%] Built target unichemformat
make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color=
-[ 53%] Linking CXX shared module ../../lib/stlformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
+[ 55%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/conformer.o -c /build/openbabel-2.4.1+dfsg/src/ops/conformer.cpp
Scanning dependencies of target fastaformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/stlformat.so CMakeFiles/stlformat.dir/stlformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.o
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 55%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opalign.o -c /build/openbabel-2.4.1+dfsg/src/ops/opalign.cpp
+[ 55%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastaformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fastaformat.dir/fastaformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fastaformat.cpp
-[ 53%] Linking CXX shared module ../../lib/APIInterface.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 53%] Linking CXX shared module ../../lib/smilesformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
+[ 55%] Built target molreport
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 53%] Built target stlformat
make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 55%] Built target stlformat
+make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
Scanning dependencies of target fingerprintformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
-[ 53%] Built target APIInterface
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
-[ 53%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fingerprintformat.dir/fingerprintformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fingerprintformat.cpp
+make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target siestaformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 54%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.o
+[ 55%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.o
+[ 56%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsiestaformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/siestaformat.dir/siestaformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/siestaformat.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fingerprintformat.dir/fingerprintformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fingerprintformat.cpp
+[ 56%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opconfab.o -c /build/openbabel-2.4.1+dfsg/src/ops/opconfab.cpp
+[ 56%] Linking CXX shared module ../../lib/smilesformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 57%] Linking CXX shared module ../../lib/mdlformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 57%] Linking CXX shared module ../../lib/fastaformat.so
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 54%] Built target smilesformat
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 57%] Built target smilesformat
make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
+[ 57%] Linking CXX shared module ../../lib/qchemformat.so
Scanning dependencies of target reportformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 55%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 58%] Building CXX object src/formats/CMakeFiles/reportformat.dir/reportformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dreportformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/reportformat.dir/reportformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/reportformat.cpp
-[ 56%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/optransform.o -c /build/openbabel-2.4.1+dfsg/src/ops/optransform.cpp
-[ 57%] Linking CXX shared module ../../lib/mdlformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 57%] Linking CXX shared module ../../lib/titleformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/titleformat.so CMakeFiles/titleformat.dir/titleformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target mdlformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 58%] Built target mdlformat
make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake --color=
+[ 58%] Built target fastaformat
+make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
Scanning dependencies of target pngformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pngformat.dir/pngformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pngformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target titleformat
-make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
Scanning dependencies of target vaspformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dvaspformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/vaspformat.dir/vaspformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/vaspformat.cpp
-[ 57%] Linking CXX shared module ../../lib/fastaformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 57%] Linking CXX shared module ../../lib/svgformat.so
-[ 57%] Linking CXX shared module ../../lib/fingerprintformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/svgformat.so CMakeFiles/svgformat.dir/svgformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 57%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o
+[ 58%] Building CXX object src/formats/CMakeFiles/pngformat.dir/pngformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pngformat.dir/pngformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pngformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefielduff.cpp
-[ 57%] Built target fastaformat
+[ 58%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dvaspformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/vaspformat.dir/vaspformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/vaspformat.cpp
+[ 58%] Built target qchemformat
make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
+[ 58%] Linking CXX shared module ../../lib/svgformat.so
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/svgformat.so CMakeFiles/svgformat.dir/svgformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target pwscfformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.o
+[ 58%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpwscfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pwscfformat.dir/pwscfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pwscfformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target svgformat
+[ 58%] Built target svgformat
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target acrformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target fingerprintformat
+[ 58%] Linking CXX shared module ../../lib/siestaformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
+[ 58%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/acrformat.dir/acrformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/acrformat.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 58%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o
+[ 58%] Linking CXX shared module ../../lib/gamessukformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o -c /build/openbabel-2.4.1+dfsg/src/forcefields/forcefielduff.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
-[ 57%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/acrformat.dir/acrformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/acrformat.cpp
+[ 58%] Linking CXX shared module ../../lib/fingerprintformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
Scanning dependencies of target zindoformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.o
+[ 58%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dzindoformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/zindoformat.dir/zindoformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/zindoformat.cpp
-[ 57%] Linking CXX shared module ../../lib/qchemformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target qchemformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 58%] Built target gamessukformat
make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
-[ 57%] Linking CXX shared module ../../lib/gamessukformat.so
-Scanning dependencies of target moldenformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 57%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/moldenformat.dir/moldenformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/moldenformat.cpp
-[ 57%] Linking CXX shared module ../../lib/reportformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/reportformat.so CMakeFiles/reportformat.dir/reportformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Built target gamessukformat
+[ 58%] Built target siestaformat
+[ 58%] Linking CXX shared module ../../lib/mopacformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
+Scanning dependencies of target moldenformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
Scanning dependencies of target orcaformat
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 57%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/orcaformat.dir/orcaformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/orcaformat.cpp
-[ 58%] Linking CXX shared module ../../lib/pngformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
-[ 58%] Linking CXX shared module ../../lib/siestaformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pngformat.so CMakeFiles/pngformat.dir/pngformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 58%] Built target reportformat
+[ 58%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/moldenformat.dir/moldenformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/moldenformat.cpp
+[ 59%] Linking CXX shared module ../lib/plugin_ops.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
+[ 59%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.o
+[ 59%] Built target fingerprintformat
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/orcaformat.dir/orcaformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/orcaformat.cpp
make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.o CMakeFiles/plugin_ops.dir/ops/addinindex.o CMakeFiles/plugin_ops.dir/ops/addpolarh.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o CMakeFiles/plugin_ops.dir/ops/canonical.o CMakeFiles/plugin_ops.dir/ops/changecell.o CMakeFiles/plugin_ops.dir/ops/delpolarh.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o CMakeFiles/plugin_ops.dir/ops/gen2D.o CMakeFiles/plugin_ops.dir/ops/fillUC.o CMakeFiles/plugin_ops.dir/ops/forcefield.o CMakeFiles/plugin_ops.dir/ops/gen3d.o CMakeFiles/plugin_ops.dir/ops/largest.o CMakeFiles/plugin_ops.dir/ops/loader.o CMakeFiles/plugin_ops.dir/ops/opsplit.o CMakeFiles/plugin_ops.dir/ops/optransform.o CMakeFiles/plugin_ops.dir/ops/partialcharges.o CMakeFiles/plugin_ops.dir/ops/readconformers.o CMakeFiles/plugin_ops.dir/ops/sort.o CMakeFiles/plugin_ops.dir/ops/opisomorph.o CMakeFiles/plugin_ops.dir/ops/ophighlight.o CMakeFiles/plugin_ops.dir/ops/xout.o CMakeFiles/plugin_ops.dir/ops/conformer.o CMakeFiles/plugin_ops.dir/ops/opalign.o CMakeFiles/plugin_ops.dir/ops/opconfab.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color=
Scanning dependencies of target PQSformat
-[ 58%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.o
+make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/qeq.o -c /build/openbabel-2.4.1+dfsg/src/charges/qeq.cpp
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 58%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.o
+[ 59%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/PQSformat.dir/PQSformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/PQSformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 58%] Built target siestaformat
-make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
Scanning dependencies of target MCDLformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 58%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.o
+[ 59%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/MCDLformat.dir/MCDLformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/MCDLformat.cpp
-[ 58%] Built target pngformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 59%] Built target mopacformat
make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color=
-[ 58%] Linking CXX shared module ../../lib/mopacformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 59%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/qeq.o -c /build/openbabel-2.4.1+dfsg/src/charges/qeq.cpp
Scanning dependencies of target copyformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 59%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/copyformat.dir/copyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/copyformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 60%] Linking CXX shared module ../../lib/acrformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
-[ 60%] Built target mopacformat
+[ 59%] Built target plugin_ops
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
-[ 60%] Linking CXX shared module ../../lib/pwscfformat.so
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/acrformat.so CMakeFiles/acrformat.dir/acrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 60%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/copyformat.dir/copyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/copyformat.cpp
Scanning dependencies of target freefracformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 60%] Building CXX object src/formats/CMakeFiles/freefracformat.dir/freefracformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfreefracformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/freefracformat.dir/freefracformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/freefracformat.cpp
+[ 60%] Linking CXX shared module ../../lib/copyformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
+[ 61%] Linking CXX shared module ../../lib/pngformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 60%] Built target pwscfformat
+[ 61%] Built target pngformat
make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 62%] Linking CXX shared module ../../lib/nwchemformat.so
+[ 63%] Linking CXX shared module ../../lib/zindoformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
Scanning dependencies of target amberformat
-[ 60%] Linking CXX shared module ../../lib/copyformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/copyformat.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 60%] Built target acrformat
make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 64%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Damberformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/amberformat.dir/amberformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/amberformat.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 64%] Linking CXX shared module ../../lib/reportformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
+[ 64%] Built target copyformat
make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/copyformat.so CMakeFiles/copyformat.dir/copyformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color=
-[ 61%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Damberformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/amberformat.dir/amberformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/amberformat.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/reportformat.so CMakeFiles/reportformat.dir/reportformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 64%] Linking CXX shared module ../../lib/pwscfformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
Scanning dependencies of target cccformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 61%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.o
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+[ 64%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcccformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cccformat.dir/cccformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cccformat.cpp
-[ 62%] Linking CXX shared module ../../lib/nwchemformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 62%] Built target copyformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 64%] Built target reportformat
make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
+[ 64%] Built target zindoformat
+make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
Scanning dependencies of target bgfformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 63%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/bgfformat.dir/bgfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/bgfformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 64%] Linking CXX shared module ../../lib/zindoformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/zindoformat.dir/link.txt --verbose=1
-[ 64%] Built target nwchemformat
-make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target gaussformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 64%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gaussformat.dir/gaussformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gaussformat.cpp
-[ 64%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/partialcharges.o -c /build/openbabel-2.4.1+dfsg/src/ops/partialcharges.cpp
-[ 64%] Linking CXX shared module ../../lib/gamessformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 64%] Built target zindoformat
+[ 65%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/bgfformat.dir/bgfformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/bgfformat.cpp
+[ 65%] Built target nwchemformat
make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
+[ 65%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gaussformat.dir/gaussformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/gaussformat.cpp
Scanning dependencies of target boxformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 64%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dboxformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/boxformat.dir/boxformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/boxformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 64%] Built target gamessformat
+[ 65%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dboxformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/boxformat.dir/boxformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/boxformat.cpp
+[ 65%] Built target pwscfformat
make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
@@ -3763,26 +3809,14 @@
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.o
+[ 66%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacheformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cacheformat.dir/cacheformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cacheformat.cpp
-[ 65%] Linking CXX shared module ../../lib/freefracformat.so
+[ 66%] Linking CXX shared module ../../lib/freefracformat.so
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
+[ 67%] Linking CXX shared module ../../lib/acrformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 65%] Linking CXX shared module ../../lib/PQSformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 65%] Built target freefracformat
-make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target cacaoformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cacaoformat.dir/cacaoformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cacaoformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/acrformat.so CMakeFiles/acrformat.dir/acrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
/build/openbabel-2.4.1+dfsg/src/formats/MCDLformat.cpp: In member function 'std::__cxx11::string OpenBabel::MCDLFormat::constring(int (*)[4], char*)':
/build/openbabel-2.4.1+dfsg/src/formats/MCDLformat.cpp:209:30: warning: '%s' directive writing up to 99 bytes into a region of size 82 [-Wformat-overflow=]
sprintf(line,"%s%d",semis,icons[j]);
@@ -3801,132 +3835,143 @@
~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-[ 65%] Linking CXX shared module ../../lib/amberformat.so
-[ 65%] Built target PQSformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 67%] Built target acrformat
+make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
+[ 67%] Built target freefracformat
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/amberformat.so CMakeFiles/amberformat.dir/amberformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+Scanning dependencies of target cacaoformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target fchkformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.o
+[ 67%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.o
+[ 67%] Linking CXX shared module ../../lib/PQSformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cacaoformat.dir/cacaoformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cacaoformat.cpp
+[ 67%] Linking CXX shared module ../../lib/amberformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 67%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfchkformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fchkformat.dir/fchkformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fchkformat.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/amberformat.so CMakeFiles/amberformat.dir/amberformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Built target amberformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 67%] Built target PQSformat
make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
+[ 67%] Linking CXX shared module ../../lib/gamessformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
+[ 67%] Built target amberformat
+make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target carformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/carformat.dir/carformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/carformat.cpp
-[ 65%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/readconformers.o -c /build/openbabel-2.4.1+dfsg/src/ops/readconformers.cpp
-[ 65%] Linking CXX shared module ../../lib/cccformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cccformat.so CMakeFiles/cccformat.dir/cccformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Built target cccformat
-make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
Scanning dependencies of target pqrformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.o
-[ 65%] Linking CXX shared module ../../lib/boxformat.so
+[ 67%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/carformat.dir/carformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/carformat.cpp
+[ 67%] Linking CXX shared module ../../lib/cccformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
+[ 67%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpqrformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/pqrformat.dir/pqrformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/pqrformat.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
-[ 65%] Linking CXX shared module ../../lib/moldenformat.so
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/boxformat.so CMakeFiles/boxformat.dir/boxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 65%] Linking CXX shared module ../../lib/cacheformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 65%] Linking CXX shared module ../../lib/vaspformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
-[ 65%] Linking CXX shared module ../../lib/bgfformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cccformat.so CMakeFiles/cccformat.dir/cccformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Built target cacheformat
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 67%] Built target gamessformat
make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake --color=
-[ 65%] Built target boxformat
+[ 67%] Built target cccformat
make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
+Scanning dependencies of target chem3dformat
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
-Scanning dependencies of target chem3dformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target chemdrawct
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 65%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.o
+[ 67%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchem3dformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chem3dformat.dir/chem3dformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/chem3dformat.cpp
-[ 65%] Built target moldenformat
-make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
-[ 66%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.o
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 68%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawct_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chemdrawct.dir/chemdrawct.o -c /build/openbabel-2.4.1+dfsg/src/formats/chemdrawct.cpp
+[ 68%] Linking CXX shared module ../../lib/bgfformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 68%] Linking CXX shared module ../../lib/moldenformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 68%] Linking CXX shared module ../../lib/boxformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/boxformat.so CMakeFiles/boxformat.dir/boxformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 68%] Built target bgfformat
+make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
Scanning dependencies of target tinkerformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 66%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.o
+[ 68%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtinkerformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/tinkerformat.dir/tinkerformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/tinkerformat.cpp
-[ 66%] Built target vaspformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 68%] Built target moldenformat
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
Scanning dependencies of target hinformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 67%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/hinformat.dir/hinformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/hinformat.cpp
-[ 67%] Built target bgfformat
+[ 68%] Linking CXX shared module ../../lib/cacheformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
+[ 68%] Built target boxformat
make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
+[ 69%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/hinformat.dir/hinformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/hinformat.cpp
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target molproformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 67%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.o
+[ 69%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolproformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/molproformat.dir/molproformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/molproformat.cpp
-[ 67%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/sort.o -c /build/openbabel-2.4.1+dfsg/src/ops/sort.cpp
-[ 67%] Linking CXX shared module ../../lib/carformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/carformat.so CMakeFiles/carformat.dir/carformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 67%] Linking CXX shared module ../../lib/cacaoformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 67%] Built target cacaoformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 69%] Built target cacheformat
make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
-[ 67%] Built target carformat
-make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
+[ 69%] Linking CXX shared module ../../lib/chem3dformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
+Scanning dependencies of target chemtoolformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 69%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chemtoolformat.dir/chemtoolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/chemtoolformat.cpp
/build/openbabel-2.4.1+dfsg/src/formats/pqrformat.cpp: In member function 'virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/build/openbabel-2.4.1+dfsg/src/formats/pqrformat.cpp:501:52: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
snprintf(type_name, sizeof(type_name), " %-3s", tmp);
@@ -3962,628 +4007,618 @@
~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
__bos (__s), __fmt, __va_arg_pack ());
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
-Scanning dependencies of target chemtoolformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
+[ 69%] Linking CXX shared module ../../lib/chemdrawct.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 69%] Built target chem3dformat
+make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
Scanning dependencies of target cifformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 67%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/chemtoolformat.dir/chemtoolformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/chemtoolformat.cpp
-[ 68%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.o
+[ 70%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcifformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cifformat.dir/cifformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cifformat.cpp
-[ 69%] Linking CXX shared module ../../lib/orcaformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 69%] Built target orcaformat
+[ 70%] Built target chemdrawct
make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
-[ 69%] Linking CXX shared module ../../lib/chem3dformat.so
+[ 70%] Linking CXX shared module ../../lib/cacaoformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
Scanning dependencies of target featformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 69%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 70%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfeatformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/featformat.dir/featformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/featformat.cpp
-[ 69%] Linking CXX shared module ../../lib/hinformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
-[ 69%] Linking CXX shared module ../../lib/chemdrawct.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/hinformat.so CMakeFiles/hinformat.dir/hinformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 69%] Built target chem3dformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 70%] Built target cacaoformat
make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
-[ 69%] Built target chemdrawct
-make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
+[ 70%] Linking CXX shared module ../../lib/carformat.so
Scanning dependencies of target crkformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-Scanning dependencies of target textformat
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/carformat.so CMakeFiles/carformat.dir/carformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 70%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrkformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/crkformat.dir/crkformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/crkformat.cpp
+[ 70%] Linking CXX shared module ../../lib/hinformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/hinformat.so CMakeFiles/hinformat.dir/hinformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 71%] Linking CXX shared module ../../lib/tinkerformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 72%] Linking CXX shared module ../../lib/orcaformat.so
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/orcaformat.dir/link.txt --verbose=1
+[ 72%] Built target hinformat
+make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 69%] Built target hinformat
-[ 69%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrkformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/crkformat.dir/crkformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/crkformat.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 72%] Built target carformat
make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
-[ 69%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtextformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/textformat.dir/textformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/textformat.cpp
Scanning dependencies of target cssrformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 70%] Linking CXX shared module ../lib/plugin_forcefields.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
-[ 70%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.o
+Scanning dependencies of target textformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 72%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcssrformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/cssrformat.dir/cssrformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/cssrformat.cpp
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 71%] Linking CXX shared module ../../lib/tinkerformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 72%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtextformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/textformat.dir/textformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/textformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 71%] Built target tinkerformat
+[ 72%] Built target orcaformat
make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
+[ 72%] Linking CXX shared module ../../lib/featformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/featformat.so CMakeFiles/featformat.dir/featformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target dlpolyformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 72%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/dlpolyformat.dir/dlpolyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/dlpolyformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 72%] Built target plugin_forcefields
+[ 72%] Built target tinkerformat
make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
+[ 73%] Building CXX object src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/dlpolyformat.dir/dlpolyformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/dlpolyformat.cpp
Scanning dependencies of target fhiaimsformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 73%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o
+[ 74%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fhiaimsformat.cpp
-[ 73%] Linking CXX shared module ../../lib/chemtoolformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 73%] Linking CXX shared module ../../lib/textformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/textformat.so CMakeFiles/textformat.dir/textformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 73%] Linking CXX shared module ../../lib/pqrformat.so
-[ 73%] Built target chemtoolformat
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
+[ 74%] Built target featformat
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target exyzformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 73%] Built target textformat
+[ 74%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dexyzformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/exyzformat.dir/exyzformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/exyzformat.cpp
+[ 74%] Linking CXX shared module ../../lib/chemtoolformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Linking CXX shared module ../../lib/fchkformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Linking CXX shared module ../../lib/molproformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/molproformat.so CMakeFiles/molproformat.dir/molproformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Built target fchkformat
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
-[ 73%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dexyzformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/exyzformat.dir/exyzformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/exyzformat.cpp
Scanning dependencies of target fhformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 73%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.o
+[ 75%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/fhformat.dir/fhformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/fhformat.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 73%] Linking CXX shared module ../../lib/cssrformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
-[ 73%] Built target pqrformat
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Built target chemtoolformat
make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
-[ 73%] Linking CXX shared module ../../lib/molproformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
-[ 74%] Linking CXX shared module ../../lib/fchkformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
-Scanning dependencies of target ghemicalformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/molproformat.so CMakeFiles/molproformat.dir/molproformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 74%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/ghemicalformat.dir/ghemicalformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/ghemicalformat.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Linking CXX shared module ../../lib/featformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
-[ 74%] Built target cssrformat
+[ 75%] Built target molproformat
make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/featformat.so CMakeFiles/featformat.dir/featformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target gromos96format
+Scanning dependencies of target ghemicalformat
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.o
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/ghemicalformat.dir/ghemicalformat.o -c /build/openbabel-2.4.1+dfsg/src/formats/ghemicalformat.cpp
+[ 75%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.o
cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgromos96format_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/build/openbabel-2.4.1+dfsg/include/inchi -I/usr/include/libxml2 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/gromos96format.dir/gromos96format.o -c /build/openbabel-2.4.1+dfsg/src/formats/gromos96format.cpp
+[ 75%] Linking CXX shared module ../../lib/pqrformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Built target molproformat
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Built target pqrformat
make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color=
-[ 74%] Built target fchkformat
-make -f tools/CMakeFiles/obchiral.dir/build.make tools/CMakeFiles/obchiral.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obchiral.dir/DependInfo.cmake --color=
-[ 74%] Built target featformat
-make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/depend
Scanning dependencies of target obspectrophore
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/babel.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obspectrophore.dir/obspectrophore.o -c /build/openbabel-2.4.1+dfsg/tools/obspectrophore.cpp
+[ 75%] Linking CXX shared module ../../lib/textformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/textformat.so CMakeFiles/textformat.dir/textformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Linking CXX shared module ../../lib/crkformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/crkformat.so CMakeFiles/crkformat.dir/crkformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Linking CXX shared module ../../lib/cssrformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Linking CXX shared module ../../lib/vaspformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 75%] Built target crkformat
+make -f tools/CMakeFiles/obchiral.dir/build.make tools/CMakeFiles/obchiral.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obchiral.dir/DependInfo.cmake --color=
Scanning dependencies of target obchiral
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obchiral.dir/build.make tools/CMakeFiles/obchiral.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 75%] Building CXX object tools/CMakeFiles/obchiral.dir/obchiral.o
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obchiral.dir/obchiral.o -c /build/openbabel-2.4.1+dfsg/tools/obchiral.cpp
+[ 75%] Built target textformat
+make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/babel.dir/DependInfo.cmake --color=
+[ 75%] Linking CXX shared module ../../lib/fhiaimsformat.so
+[ 76%] Linking CXX shared module ../lib/plugin_forcefields.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
Scanning dependencies of target babel
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obspectrophore.dir/obspectrophore.o -c /build/openbabel-2.4.1+dfsg/tools/obspectrophore.cpp
-[ 74%] Building CXX object tools/CMakeFiles/obchiral.dir/obchiral.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obchiral.dir/obchiral.o -c /build/openbabel-2.4.1+dfsg/tools/obchiral.cpp
-[ 74%] Building CXX object tools/CMakeFiles/babel.dir/babel.o
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 76%] Building CXX object tools/CMakeFiles/babel.dir/babel.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/babel.dir/babel.o -c /build/openbabel-2.4.1+dfsg/tools/babel.cpp
-/build/openbabel-2.4.1+dfsg/tools/babel.cpp:107:29: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
- << __DATE__ << " -- " << __TIME__ << endl;
- ^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/babel.cpp:107:51: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
- << __DATE__ << " -- " << __TIME__ << endl;
- ^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/babel.cpp:422:55: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
- cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- "
- ^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/babel.cpp:423:11: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
- << __TIME__ << endl;
- ^~~~~~~~
-[ 74%] Linking CXX shared module ../../lib/crkformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/crkformat.so CMakeFiles/crkformat.dir/crkformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 74%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opisomorph.o -c /build/openbabel-2.4.1+dfsg/src/ops/opisomorph.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Linking CXX shared module ../../lib/fhiaimsformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
-[ 74%] Built target crkformat
+[ 76%] Built target vaspformat
make -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obabel.dir/DependInfo.cmake --color=
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
Scanning dependencies of target obabel
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obabel.dir/obabel.o -c /build/openbabel-2.4.1+dfsg/tools/obabel.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:104:29: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
+[ 76%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obabel.dir/obabel.o -c /build/openbabel-2.4.1+dfsg/tools/obabel.cpp
+/build/openbabel-2.4.1+dfsg/tools/babel.cpp:107:29: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
<< __DATE__ << " -- " << __TIME__ << endl;
^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:104:51: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
+/build/openbabel-2.4.1+dfsg/tools/babel.cpp:107:51: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
<< __DATE__ << " -- " << __TIME__ << endl;
^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:411:55: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
+/build/openbabel-2.4.1+dfsg/tools/babel.cpp:422:55: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- "
^~~~~~~~
-/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:412:11: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
+/build/openbabel-2.4.1+dfsg/tools/babel.cpp:423:11: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
<< __TIME__ << endl;
^~~~~~~~
-[ 74%] Built target fhiaimsformat
+[ 76%] Built target cssrformat
make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obrms.dir/DependInfo.cmake --color=
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target obrms
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
+[ 76%] Built target fhiaimsformat
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obrms.dir/obrms.o -c /build/openbabel-2.4.1+dfsg/tools/obrms.cpp
-[ 74%] Linking CXX shared module ../../lib/fhformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fhformat.so CMakeFiles/fhformat.dir/fhformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 74%] Linking CXX executable ../bin/babel
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/babel.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/babel.dir/babel.o -o ../bin/babel ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 74%] Linking CXX shared module ../../lib/gromos96format.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
-[ 74%] Linking CXX executable ../bin/obchiral
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obchiral.dir/link.txt --verbose=1
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Built target babel
make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obchiral.dir/obchiral.o -o ../bin/obchiral ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obgen.dir/DependInfo.cmake --color=
+[ 76%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obrms.dir/obrms.o -c /build/openbabel-2.4.1+dfsg/tools/obrms.cpp
Scanning dependencies of target obgen
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 76%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.o
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object tools/CMakeFiles/obgen.dir/obgen.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgen.dir/obgen.o -c /build/openbabel-2.4.1+dfsg/tools/obgen.cpp
-[ 74%] Built target fhformat
+/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:104:29: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
+ << __DATE__ << " -- " << __TIME__ << endl;
+ ^~~~~~~~
+/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:104:51: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
+ << __DATE__ << " -- " << __TIME__ << endl;
+ ^~~~~~~~
+/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:411:55: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
+ cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- "
+ ^~~~~~~~
+/build/openbabel-2.4.1+dfsg/tools/obabel.cpp:412:11: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
+ << __TIME__ << endl;
+ ^~~~~~~~
+[ 76%] Built target plugin_forcefields
make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake --color=
+Scanning dependencies of target obdistgen
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
+[ 76%] Linking CXX shared module ../../lib/fhformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/fhformat.so CMakeFiles/fhformat.dir/fhformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+[ 76%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obdistgen.dir/obdistgen.o -c /build/openbabel-2.4.1+dfsg/tools/obdistgen.cpp
+[ 76%] Linking CXX shared module ../../lib/gromos96format.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Built target gromos96format
+[ 76%] Built target fhformat
make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color=
-Scanning dependencies of target obdistgen
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
-[ 74%] Built target obchiral
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend
Scanning dependencies of target obconformer
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obprop.dir/DependInfo.cmake --color=
make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Building CXX object tools/CMakeFiles/obdistgen.dir/obdistgen.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obdistgen.dir/obdistgen.o -c /build/openbabel-2.4.1+dfsg/tools/obdistgen.cpp
-[ 75%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.o
+[ 76%] Linking CXX shared module ../../lib/ghemicalformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
+[ 77%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obconformer.dir/obconformer.o -c /build/openbabel-2.4.1+dfsg/tools/obconformer.cpp
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+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 77%] Built target gromos96format
+make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obprop.dir/DependInfo.cmake --color=
Scanning dependencies of target obprop
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 75%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.o
+[ 77%] Building CXX object tools/CMakeFiles/obprop.dir/obprop.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obprop.dir/obprop.o -c /build/openbabel-2.4.1+dfsg/tools/obprop.cpp
-[ 75%] Linking CXX executable ../bin/obabel
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
-[ 76%] Linking CXX shared module ../../lib/gaussformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obabel.dir/obabel.o -o ../bin/obabel ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
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-[ 76%] Linking CXX shared module ../../lib/ghemicalformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 76%] Built target obabel
+[ 77%] Linking CXX executable ../bin/obchiral
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obchiral.dir/link.txt --verbose=1
+[ 77%] Built target ghemicalformat
make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obfit.dir/DependInfo.cmake --color=
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Scanning dependencies of target obfit
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 77%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.o
+[ 78%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obfit.dir/obfit.o -c /build/openbabel-2.4.1+dfsg/tools/obfit.cpp
+[ 78%] Linking CXX executable ../bin/obabel
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obabel.dir/obabel.o -o ../bin/obabel ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 77%] Built target gaussformat
+[ 78%] Built target obchiral
make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
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Scanning dependencies of target obrotamer
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
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-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obgrep.dir/DependInfo.cmake --color=
make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 77%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.o
+[ 78%] Building CXX object tools/CMakeFiles/obrotamer.dir/obrotamer.o
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obrotamer.dir/obrotamer.o -c /build/openbabel-2.4.1+dfsg/tools/obrotamer.cpp
+[ 78%] Linking CXX executable ../bin/babel
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+[ 79%] Linking CXX shared module ../../lib/exyzformat.so
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+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 79%] Built target obabel
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+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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Scanning dependencies of target obgrep
-[ 77%] Linking CXX executable ../bin/obrms
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
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-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obrms.dir/obrms.o -o ../bin/obrms ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 77%] Building CXX object tools/CMakeFiles/obgrep.dir/obgrep.o
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-[ 78%] Linking CXX shared module ../../lib/exyzformat.so
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 78%] Built target obrms
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make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
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make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obenergy.dir/DependInfo.cmake --color=
+[ 79%] Linking CXX executable ../bin/obrms
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Scanning dependencies of target obenergy
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 78%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obenergy.dir/obenergy.o -c /build/openbabel-2.4.1+dfsg/tools/obenergy.cpp
-[ 78%] Linking CXX shared module ../../lib/dlpolyformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 78%] Built target exyzformat
+[ 79%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obenergy.dir/obenergy.o -c /build/openbabel-2.4.1+dfsg/tools/obenergy.cpp
+[ 79%] Built target exyzformat
make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color=
+[ 79%] Linking CXX executable ../bin/obconformer
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Scanning dependencies of target obthermo
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
+[ 79%] Linking CXX executable ../bin/obgen
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 78%] Linking CXX executable ../bin/obgen
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgen.dir/link.txt --verbose=1
-[ 78%] Linking CXX executable ../bin/obconformer
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
-[ 78%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obthermo.dir/obthermo.o -c /build/openbabel-2.4.1+dfsg/tools/obthermo.cpp
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+[ 79%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.o
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+[ 79%] Linking CXX executable ../bin/obdistgen
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+[ 80%] Linking CXX shared module ../../lib/MCDLformat.so
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 78%] Built target dlpolyformat
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make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obrotate.dir/DependInfo.cmake --color=
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-[ 79%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/ophighlight.o -c /build/openbabel-2.4.1+dfsg/src/ops/ophighlight.cpp
-[ 80%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obrotate.dir/obrotate.o -c /build/openbabel-2.4.1+dfsg/tools/obrotate.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 81%] Linking CXX executable ../bin/obprop
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
-[ 81%] Built target obgen
+[ 80%] Built target obconformer
make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obprobe.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obprop.dir/obprop.o -o ../bin/obprop ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 80%] Built target obgen
+make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color=
Scanning dependencies of target obprobe
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target obrotate
make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 81%] Built target obconformer
-make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color=
-[ 81%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obprobe.dir/obprobe.o -c /build/openbabel-2.4.1+dfsg/tools/obprobe.cpp
Scanning dependencies of target obsym
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 80%] Building CXX object tools/CMakeFiles/obprobe.dir/obprobe.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obprobe.dir/obprobe.o -c /build/openbabel-2.4.1+dfsg/tools/obprobe.cpp
+[ 80%] Linking CXX executable ../bin/obspectrophore
+[ 81%] Building CXX object tools/CMakeFiles/obrotate.dir/obrotate.o
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[ 81%] Building CXX object tools/CMakeFiles/obsym.dir/obsym.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obrotate.dir/obrotate.o -c /build/openbabel-2.4.1+dfsg/tools/obrotate.cpp
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obsym.dir/obsym.o -c /build/openbabel-2.4.1+dfsg/tools/obsym.cpp
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 81%] Built target obprop
+[ 81%] Linking CXX shared module ../../lib/dlpolyformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
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make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color=
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+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Scanning dependencies of target obminimize
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 82%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obminimize.dir/obminimize.o -c /build/openbabel-2.4.1+dfsg/tools/obminimize.cpp
-[ 82%] Linking CXX executable ../bin/obrotamer
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 82%] Linking CXX executable ../bin/obfit
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
-[ 82%] Built target obrotamer
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make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
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make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color=
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+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprop.dir/link.txt --verbose=1
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 83%] Building CXX object tools/CMakeFiles/obminimize.dir/obminimize.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obminimize.dir/obminimize.o -c /build/openbabel-2.4.1+dfsg/tools/obminimize.cpp
Scanning dependencies of target obtautomer
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 82%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.o
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obtautomer.dir/obtautomer.o -c /build/openbabel-2.4.1+dfsg/tools/obtautomer.cpp
-[ 83%] Linking CXX executable ../bin/obgrep
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obgrep.dir/obgrep.o -o ../bin/obgrep ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 83%] Linking CXX executable ../bin/obdistgen
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
-[ 83%] Linking CXX executable ../bin/obenergy
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
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-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obenergy.dir/obenergy.o -o ../bin/obenergy ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 83%] Built target obfit
+[ 83%] Built target obspectrophore
make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
-[ 83%] Linking CXX executable ../bin/obspectrophore
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obprop.dir/obprop.o -o ../bin/obprop ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/GUI /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/GUI /build/openbabel-2.4.1+dfsg/builddir/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obspectrophore.dir/obspectrophore.o -o ../bin/obspectrophore ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 83%] Building CXX object tools/CMakeFiles/obtautomer.dir/obtautomer.o
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obtautomer.dir/obtautomer.o -c /build/openbabel-2.4.1+dfsg/tools/obtautomer.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+Scanning dependencies of target obgui
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 83%] Built target obgrep
+make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
+[ 83%] Built target dlpolyformat
make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 83%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/OBGUI.o -c /build/openbabel-2.4.1+dfsg/src/GUI/OBGUI.cpp
Scanning dependencies of target test_inchiwrite
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 83%] Linking CXX executable ../bin/obthermo
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
-[ 83%] Built target obenergy
-Scanning dependencies of target obgui
-make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 84%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_inchiwrite.dir/inchiwrite.o -c /build/openbabel-2.4.1+dfsg/test/inchiwrite.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obthermo.dir/obthermo.o -o ../bin/obthermo ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/OBGUI.o -c /build/openbabel-2.4.1+dfsg/src/GUI/OBGUI.cpp
-[ 84%] Built target obdistgen
-make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
+[ 84%] Built target obprop
+make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
Scanning dependencies of target test_runner
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build
-Scanning dependencies of target roundtrip
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 84%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/test_runner.o -c /build/openbabel-2.4.1+dfsg/builddir/test/test_runner.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Linking CXX executable ../bin/obsym
+[ 84%] Linking CXX executable ../bin/obrotamer
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
+[ 84%] Linking CXX executable ../bin/obthermo
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obrotamer.dir/obrotamer.o -o ../bin/obrotamer ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obthermo.dir/obthermo.o -o ../bin/obthermo ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 85%] Linking CXX executable ../bin/obgrep
+[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/aligntest.o -c /build/openbabel-2.4.1+dfsg/test/aligntest.cpp
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obgrep.dir/obgrep.o -o ../bin/obgrep ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 85%] Linking CXX executable ../bin/obfit
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfit.dir/link.txt --verbose=1
+[ 86%] Linking CXX shared module ../../lib/gaussformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obfit.dir/obfit.o -o ../bin/obfit ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 87%] Linking CXX executable ../bin/obsym
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
-[ 85%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/roundtrip.dir/roundtrip.o -c /build/openbabel-2.4.1+dfsg/test/roundtrip.cpp
-[ 85%] Built target obspectrophore
-[ 85%] Built target obthermo
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obsym.dir/obsym.o -o ../bin/obsym ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 87%] Built target obthermo
+make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
+[ 87%] Built target obrotamer
make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obsym.dir/obsym.o -o ../bin/obsym ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 85%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/xout.o -c /build/openbabel-2.4.1+dfsg/src/ops/xout.cpp
-[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/aligntest.o -c /build/openbabel-2.4.1+dfsg/test/aligntest.cpp
-Scanning dependencies of target bindings_perl
+Scanning dependencies of target roundtrip
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
+make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Linking CXX executable ../bin/obrotate
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
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-[ 85%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
-cd /build/openbabel-2.4.1+dfsg/builddir/scripts && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_perl_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/python2.7 -I/usr/lib/x86_64-linux-gnu/perl/5.28/CORE -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /build/openbabel-2.4.1+dfsg/scripts/perl/openbabel-perl.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Linking CXX executable ../bin/obprobe
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
-[ 85%] Built target obsym
+[ 87%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/roundtrip.dir/roundtrip.o -c /build/openbabel-2.4.1+dfsg/test/roundtrip.cpp
+[ 87%] Built target obgrep
make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obprobe.dir/obprobe.o -o ../bin/obprobe ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/conformer.o -c /build/openbabel-2.4.1+dfsg/src/ops/conformer.cpp
+Scanning dependencies of target bindings_perl
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 87%] Built target obsym
Scanning dependencies of target bindings_python
-[ 85%] Linking CXX executable ../bin/obminimize
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 87%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
-cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
-[ 85%] Built target obrotate
-make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obminimize.dir/obminimize.o -o ../bin/obminimize ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 85%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.o
+cd /build/openbabel-2.4.1+dfsg/builddir/scripts && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_perl_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/python2.7 -I/usr/lib/x86_64-linux-gnu/perl/5.28/CORE -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /build/openbabel-2.4.1+dfsg/scripts/perl/openbabel-perl.cpp
+[ 87%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.o
cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_charges.dir/charges/qtpie.o -c /build/openbabel-2.4.1+dfsg/src/charges/qtpie.cpp
-[ 85%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o
+make[4]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 87%] Built target obfit
+[ 87%] Linking CXX executable ../bin/obrotate
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotate.dir/link.txt --verbose=1
+[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.o
+[ 87%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o
cd /build/openbabel-2.4.1+dfsg/builddir/scripts && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_python_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/python2.7 -I/usr/lib/x86_64-linux-gnu/perl/5.28/CORE -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/bindings_python.dir/python/openbabel-python.cpp.o -c /build/openbabel-2.4.1+dfsg/scripts/python/openbabel-python.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Built target obprobe
-[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/stdwx.o -c /build/openbabel-2.4.1+dfsg/src/GUI/stdwx.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 85%] Built target obminimize
-[ 85%] Linking CXX executable ../bin/obtautomer
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/automorphismtest.o -c /build/openbabel-2.4.1+dfsg/test/automorphismtest.cpp
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+[ 87%] Linking CXX executable ../bin/obenergy
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obenergy.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obenergy.dir/obenergy.o -o ../bin/obenergy ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 87%] Linking CXX executable ../bin/obtautomer
cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obtautomer.dir/obtautomer.o -o ../bin/obtautomer ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 85%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opalign.o -c /build/openbabel-2.4.1+dfsg/src/ops/opalign.cpp
-[ 86%] Linking CXX shared module ../../lib/MCDLformat.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
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make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 86%] Built target obtautomer
-[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/automorphismtest.o -c /build/openbabel-2.4.1+dfsg/test/automorphismtest.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 86%] Linking CXX executable ../bin/roundtrip
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
-[ 86%] Built target MCDLformat
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/roundtrip.dir/roundtrip.o -o ../bin/roundtrip ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 86%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o
+[ 87%] Linking CXX executable ../bin/obprobe
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obprobe.dir/link.txt --verbose=1
+[ 87%] Built target gaussformat
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obprobe.dir/obprobe.o -o ../bin/obprobe ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 87%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o
+[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/buildertest.o -c /build/openbabel-2.4.1+dfsg/test/buildertest.cpp
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o -c /build/openbabel-2.4.1+dfsg/src/formats/getinchi.cpp
-[ 86%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/plugin_ops.dir/ops/opconfab.o -c /build/openbabel-2.4.1+dfsg/src/ops/opconfab.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 86%] Built target roundtrip
-[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/buildertest.o -c /build/openbabel-2.4.1+dfsg/test/buildertest.cpp
-[ 87%] Linking CXX executable ../bin/test_inchiwrite
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o -o ../bin/test_inchiwrite ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-[ 87%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.o
-cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/optswx.o -c /build/openbabel-2.4.1+dfsg/src/GUI/optswx.cpp
+[ 88%] Built target obrotate
+[ 88%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.o
+cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/stdwx.o -c /build/openbabel-2.4.1+dfsg/src/GUI/stdwx.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 87%] Built target test_inchiwrite
-[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.o
+[ 88%] Built target obenergy
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 88%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.o
+[ 88%] Built target obprobe
+cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/src/GUI/. -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -o CMakeFiles/obgui.dir/optswx.o -c /build/openbabel-2.4.1+dfsg/src/GUI/optswx.cpp
+[ 88%] Built target obtautomer
+[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/canonconsistenttest.o -c /build/openbabel-2.4.1+dfsg/test/canonconsistenttest.cpp
-[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.o
+[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/canonstabletest.o -c /build/openbabel-2.4.1+dfsg/test/canonstabletest.cpp
-[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.o
+[ 88%] Linking CXX executable ../bin/test_inchiwrite
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.o -o ../bin/test_inchiwrite ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 88%] Linking CXX executable ../bin/roundtrip
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/roundtrip.dir/roundtrip.o -o ../bin/roundtrip ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+[ 88%] Built target test_inchiwrite
+[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/carspacegrouptest.o -c /build/openbabel-2.4.1+dfsg/test/carspacegrouptest.cpp
-[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.o
+[ 88%] Linking CXX executable ../bin/obminimize
+cd /build/openbabel-2.4.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obminimize.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obminimize.dir/obminimize.o -o ../bin/obminimize ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 88%] Built target roundtrip
+[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/cifspacegrouptest.o -c /build/openbabel-2.4.1+dfsg/test/cifspacegrouptest.cpp
-[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.o
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 88%] Built target obminimize
+[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/cistranstest.o -c /build/openbabel-2.4.1+dfsg/test/cistranstest.cpp
-[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.o
+[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/graphsymtest.o -c /build/openbabel-2.4.1+dfsg/test/graphsymtest.cpp
-[ 89%] Linking CXX shared module ../lib/plugin_ops.so
-cd /build/openbabel-2.4.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_ops.dir/link.txt --verbose=1
-[ 89%] Linking CXX shared module ../../lib/cifformat.so
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../lib/plugin_ops.so CMakeFiles/plugin_ops.dir/ops/addfilename.o CMakeFiles/plugin_ops.dir/ops/addinindex.o CMakeFiles/plugin_ops.dir/ops/addpolarh.o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.o CMakeFiles/plugin_ops.dir/ops/canonical.o CMakeFiles/plugin_ops.dir/ops/changecell.o CMakeFiles/plugin_ops.dir/ops/delpolarh.o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.o CMakeFiles/plugin_ops.dir/ops/gen2D.o CMakeFiles/plugin_ops.dir/ops/fillUC.o CMakeFiles/plugin_ops.dir/ops/forcefield.o CMakeFiles/plugin_ops.dir/ops/gen3d.o CMakeFiles/plugin_ops.dir/ops/largest.o CMakeFiles/plugin_ops.dir/ops/loader.o CMakeFiles/plugin_ops.dir/ops/opsplit.o CMakeFiles/plugin_ops.dir/ops/optransform.o CMakeFiles/plugin_ops.dir/ops/partialcharges.o CMakeFiles/plugin_ops.dir/ops/readconformers.o CMakeFiles/plugin_ops.dir/ops/sort.o CMakeFiles/plugin_ops.dir/ops/opisomorph.o CMakeFiles/plugin_ops.dir/ops/ophighlight.o CMakeFiles/plugin_ops.dir/ops/xout.o CMakeFiles/plugin_ops.dir/ops/conformer.o CMakeFiles/plugin_ops.dir/ops/opalign.o CMakeFiles/plugin_ops.dir/ops/opconfab.o -lm -ldl -lz ../lib/libopenbabel.so.5.0.0 -lm -ldl -lz
-cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
-/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cifformat.so CMakeFiles/cifformat.dir/cifformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/gziptest.o -c /build/openbabel-2.4.1+dfsg/test/gziptest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/implicitHtest.o -c /build/openbabel-2.4.1+dfsg/test/implicitHtest.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 89%] Built target cifformat
+[ 89%] Linking CXX shared module ../../lib/cifformat.so
+cd /build/openbabel-2.4.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
+/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared -o ../../lib/cifformat.so CMakeFiles/cifformat.dir/cifformat.o -lm -ldl -lz -lcairo libinchi/libinchi.a -lm ../../lib/libopenbabel.so.5.0.0 -lcairo -lc -lm -ldl -lz
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/lssrtest.o -c /build/openbabel-2.4.1+dfsg/test/lssrtest.cpp
make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 89%] Built target plugin_ops
+[ 89%] Built target cifformat
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/isomorphismtest.o -c /build/openbabel-2.4.1+dfsg/test/isomorphismtest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.o
@@ -4629,26 +4664,24 @@
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/conversion.o -c /build/openbabel-2.4.1+dfsg/test/conversion.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/datatest.o -c /build/openbabel-2.4.1+dfsg/test/datatest.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/datatest.o -c /build/openbabel-2.4.1+dfsg/test/datatest.cpp
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/ffgaff.o -c /build/openbabel-2.4.1+dfsg/test/ffgaff.cpp
-[ 94%] Linking CXX executable ../../bin/obgui
-cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
-/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obgui.dir/OBGUI.o CMakeFiles/obgui.dir/stdwx.o CMakeFiles/obgui.dir/optswx.o -o ../../bin/obgui ../../lib/libopenbabel.so.5.0.0 -L/usr/lib/x86_64-linux-gnu -pthread -lwx_baseu-3.0 -lwx_gtk2u_core-3.0 -lwx_gtk2u_adv-3.0 -lm -ldl -lz
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/ffghemical.o -c /build/openbabel-2.4.1+dfsg/test/ffghemical.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/ffmmff94.o -c /build/openbabel-2.4.1+dfsg/test/ffmmff94.cpp
-[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.o
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/ffuff.o -c /build/openbabel-2.4.1+dfsg/test/ffuff.cpp
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/formalcharge.o -c /build/openbabel-2.4.1+dfsg/test/formalcharge.cpp
-make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/format.o -c /build/openbabel-2.4.1+dfsg/test/format.cpp
-[ 95%] Built target obgui
+[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/formalcharge.o -c /build/openbabel-2.4.1+dfsg/test/formalcharge.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formula.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/formula.o -c /build/openbabel-2.4.1+dfsg/test/formula.cpp
+[ 95%] Linking CXX executable ../../bin/obgui
+cd /build/openbabel-2.4.1+dfsg/builddir/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
+/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -rdynamic CMakeFiles/obgui.dir/OBGUI.o CMakeFiles/obgui.dir/stdwx.o CMakeFiles/obgui.dir/optswx.o -o ../../bin/obgui ../../lib/libopenbabel.so.5.0.0 -L/usr/lib/x86_64-linux-gnu -pthread -lwx_baseu-3.0 -lwx_gtk2u_core-3.0 -lwx_gtk2u_adv-3.0 -lm -ldl -lz
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/internalcoord.o -c /build/openbabel-2.4.1+dfsg/test/internalcoord.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.o
@@ -4659,6 +4692,8 @@
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/iterators.o -c /build/openbabel-2.4.1+dfsg/test/iterators.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/logp_psa.o -c /build/openbabel-2.4.1+dfsg/test/logp_psa.cpp
+make[4]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 96%] Built target obgui
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/math.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/math.o -c /build/openbabel-2.4.1+dfsg/test/math.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.o
@@ -4667,10 +4702,10 @@
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/phmodel.o -c /build/openbabel-2.4.1+dfsg/test/phmodel.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/residue.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/residue.o -c /build/openbabel-2.4.1+dfsg/test/residue.cpp
-[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.o
-cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/smartstest.o -c /build/openbabel-2.4.1+dfsg/test/smartstest.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/ringtest.o -c /build/openbabel-2.4.1+dfsg/test/ringtest.cpp
+[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.o
+cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/smartstest.o -c /build/openbabel-2.4.1+dfsg/test/smartstest.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.o
cd /build/openbabel-2.4.1+dfsg/builddir/test && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/build/openbabel-2.4.1+dfsg/builddir/include -I/build/openbabel-2.4.1+dfsg/data -I/build/openbabel-2.4.1+dfsg/include -I/usr/include/eigen3 -I/build/openbabel-2.4.1+dfsg/test -isystem /usr/lib/x86_64-linux-gnu/wx/include/gtk2-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/build/openbabel-2.4.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -DOB_MODULE_PATH="\"/usr/lib/openbabel/2.4.1\"" -DTESTDATADIR="\"/build/openbabel-2.4.1+dfsg/test/files/\"" -DFORMATDIR="\"/build/openbabel-2.4.1+dfsg/builddir/lib//\"" -DTESTDIR=/build/openbabel-2.4.1+dfsg/test -o CMakeFiles/test_runner.dir/smartsparse.o -c /build/openbabel-2.4.1+dfsg/test/smartsparse.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.o
@@ -4758,9 +4793,9 @@
/build/openbabel-2.4.1+dfsg/include/openbabel/data.h:318: warning: argument 'dhof1' of command @param is not found in the argument list of OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T)
/build/openbabel-2.4.1+dfsg/include/openbabel/data.h:330: warning: The following parameters of OpenBabel::OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T) are not documented:
parameter 'dhofT'
-sh: 1: latex: not found
+sh: latex: command not found
error: Problems running latex. Check your installation or look for typos in _formulas.tex and check _formulas.log!
-sh: 1: dvips: not found
+sh: dvips: command not found
error: Problems running dvips. Check your installation!
make[5]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
Built target docs
@@ -4774,10 +4809,10 @@
BABEL_LIBDIR=/build/openbabel-2.4.1+dfsg/builddir/lib \
LD_LIBRARY_PATH=/build/openbabel-2.4.1+dfsg/builddir/lib \
dh_auto_test
- cd builddir && make -j15 test ARGS\+=-j15
+ cd builddir && make -j16 test ARGS\+=-j16
make[2]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
Running tests...
-/usr/bin/ctest --force-new-ctest-process -j15
+/usr/bin/ctest --force-new-ctest-process -j16
Test project /build/openbabel-2.4.1+dfsg/builddir
Start 1: test_align_1
Start 2: test_align_2
@@ -4794,321 +4829,319 @@
Start 13: test_automorphism_8
Start 14: test_automorphism_9
Start 15: test_automorphism_10
- 1/160 Test #1: test_align_1 ..................... Passed 0.03 sec
Start 16: test_builder_1
- 2/160 Test #2: test_align_2 ..................... Passed 0.05 sec
+ 1/160 Test #1: test_align_1 ..................... Passed 0.03 sec
Start 17: test_builder_2
- 3/160 Test #3: test_align_3 ..................... Passed 0.06 sec
+ 2/160 Test #2: test_align_2 ..................... Passed 0.05 sec
Start 18: test_builder_3
- 4/160 Test #6: test_automorphism_1 .............. Passed 0.07 sec
+ 3/160 Test #3: test_align_3 ..................... Passed 0.05 sec
Start 19: test_builder_4
- 5/160 Test #7: test_automorphism_2 .............. Passed 0.07 sec
+ 4/160 Test #5: test_align_5 ..................... Passed 0.06 sec
Start 20: test_builder_5
- 6/160 Test #8: test_automorphism_3 .............. Passed 0.07 sec
+ 5/160 Test #6: test_automorphism_1 .............. Passed 0.07 sec
Start 21: test_canonconsistent_1
- 7/160 Test #4: test_align_4 ..................... Passed 0.07 sec
+ 6/160 Test #7: test_automorphism_2 .............. Passed 0.07 sec
Start 22: test_canonconsistent_2
- 8/160 Test #5: test_align_5 ..................... Passed 0.07 sec
+ 7/160 Test #10: test_automorphism_5 .............. Passed 0.08 sec
Start 23: test_canonconsistent_3
- 9/160 Test #9: test_automorphism_4 .............. Passed 0.09 sec
+ 8/160 Test #8: test_automorphism_3 .............. Passed 0.08 sec
Start 24: test_canonstable_1
- 10/160 Test #10: test_automorphism_5 .............. Passed 0.09 sec
+ 9/160 Test #9: test_automorphism_4 .............. Passed 0.08 sec
Start 25: test_carspacegroup_1
- 11/160 Test #12: test_automorphism_7 .............. Passed 0.08 sec
+ 10/160 Test #11: test_automorphism_6 .............. Passed 0.08 sec
Start 26: test_carspacegroup_2
- 12/160 Test #11: test_automorphism_6 .............. Passed 0.09 sec
+ 11/160 Test #4: test_align_4 ..................... Passed 0.09 sec
Start 27: test_carspacegroup_3
- 13/160 Test #13: test_automorphism_8 .............. Passed 0.08 sec
+ 12/160 Test #13: test_automorphism_8 .............. Passed 0.07 sec
Start 28: test_carspacegroup_4
- 14/160 Test #15: test_automorphism_10 ............. Passed 0.08 sec
+ 13/160 Test #14: test_automorphism_9 .............. Passed 0.09 sec
Start 29: test_cifspacegroup_1
- 15/160 Test #14: test_automorphism_9 .............. Passed 0.08 sec
+ 14/160 Test #12: test_automorphism_7 .............. Passed 0.09 sec
Start 30: test_cifspacegroup_2
- 16/160 Test #22: test_canonconsistent_2 ........... Passed 0.10 sec
+ 15/160 Test #15: test_automorphism_10 ............. Passed 0.09 sec
Start 31: test_cifspacegroup_3
- 17/160 Test #25: test_carspacegroup_1 ............. Passed 0.10 sec
+ 16/160 Test #31: test_cifspacegroup_3 ............. Passed 0.02 sec
Start 32: test_cifspacegroup_4
- 18/160 Test #31: test_cifspacegroup_3 ............. Passed 0.02 sec
+ 17/160 Test #25: test_carspacegroup_1 ............. Passed 0.09 sec
Start 33: test_cistrans_1
- 19/160 Test #33: test_cistrans_1 .................. Passed 0.02 sec
+ 18/160 Test #22: test_canonconsistent_2 ........... Passed 0.12 sec
Start 34: test_cistrans_2
- 20/160 Test #34: test_cistrans_2 .................. Passed 0.02 sec
+ 19/160 Test #33: test_cistrans_1 .................. Passed 0.03 sec
Start 35: test_cistrans_3
- 21/160 Test #35: test_cistrans_3 .................. Passed 0.02 sec
+ 20/160 Test #34: test_cistrans_2 .................. Passed 0.03 sec
Start 36: test_cistrans_4
- 22/160 Test #23: test_canonconsistent_3 ........... Passed 0.18 sec
+ 21/160 Test #23: test_canonconsistent_3 ........... Passed 0.16 sec
Start 37: test_cistrans_5
- 23/160 Test #36: test_cistrans_4 .................. Passed 0.02 sec
+ 22/160 Test #35: test_cistrans_3 .................. Passed 0.04 sec
Start 38: test_cistrans_6
- 24/160 Test #37: test_cistrans_5 .................. Passed 0.03 sec
+ 23/160 Test #36: test_cistrans_4 .................. Passed 0.04 sec
Start 39: test_cistrans_7
- 25/160 Test #38: test_cistrans_6 .................. Passed 0.15 sec
+ 24/160 Test #37: test_cistrans_5 .................. Passed 0.02 sec
Start 40: test_cistrans_8
- 26/160 Test #20: test_builder_5 ................... Passed 0.38 sec
+ 25/160 Test #20: test_builder_5 ................... Passed 0.30 sec
Start 41: test_cistrans_9
- 27/160 Test #39: test_cistrans_7 .................. Passed 0.17 sec
+ 26/160 Test #38: test_cistrans_6 .................. Passed 0.17 sec
Start 42: test_graphsym_1
- 28/160 Test #19: test_builder_4 ................... Passed 0.48 sec
+ 27/160 Test #39: test_cistrans_7 .................. Passed 0.18 sec
Start 43: test_graphsym_2
- 29/160 Test #18: test_builder_3 ................... Passed 0.55 sec
+ 28/160 Test #40: test_cistrans_8 .................. Passed 0.18 sec
Start 44: test_graphsym_3
- 30/160 Test #40: test_cistrans_8 .................. Passed 0.18 sec
+ 29/160 Test #19: test_builder_4 ................... Passed 0.44 sec
Start 45: test_graphsym_4
- 31/160 Test #41: test_cistrans_9 .................. Passed 0.18 sec
+ 30/160 Test #18: test_builder_3 ................... Passed 0.48 sec
Start 46: test_graphsym_5
- 32/160 Test #42: test_graphsym_1 .................. Passed 0.24 sec
+ 31/160 Test #41: test_cistrans_9 .................. Passed 0.18 sec
Start 47: test_gzip_1
- 33/160 Test #43: test_graphsym_2 .................. Passed 0.20 sec
+ 32/160 Test #43: test_graphsym_2 .................. Passed 0.18 sec
Start 48: test_implicitH_1
- 34/160 Test #44: test_graphsym_3 .................. Passed 0.20 sec
+ 33/160 Test #42: test_graphsym_1 .................. Passed 0.25 sec
Start 49: test_lssr_1
- 35/160 Test #45: test_graphsym_4 .................. Passed 0.20 sec
+ 34/160 Test #44: test_graphsym_3 .................. Passed 0.23 sec
Start 50: test_lssr_2
- 36/160 Test #46: test_graphsym_5 .................. Passed 0.20 sec
+ 35/160 Test #45: test_graphsym_4 .................. Passed 0.22 sec
Start 51: test_lssr_3
- 37/160 Test #21: test_canonconsistent_1 ........... Passed 0.88 sec
+ 36/160 Test #46: test_graphsym_5 .................. Passed 0.20 sec
Start 52: test_lssr_4
- 38/160 Test #48: test_implicitH_1 ................. Passed 0.23 sec
+ 37/160 Test #48: test_implicitH_1 ................. Passed 0.21 sec
Start 53: test_lssr_5
- 39/160 Test #53: test_lssr_5 ...................... Passed 0.25 sec
+ 38/160 Test #21: test_canonconsistent_1 ........... Passed 0.83 sec
Start 54: test_isomorphism_1
- 40/160 Test #49: test_lssr_1 ...................... Passed 0.52 sec
+ 39/160 Test #53: test_lssr_5 ...................... Passed 0.25 sec
Start 55: test_isomorphism_2
- 41/160 Test #54: test_isomorphism_1 ............... Passed 0.18 sec
+ 40/160 Test #54: test_isomorphism_1 ............... Passed 0.21 sec
Start 56: test_isomorphism_3
- 42/160 Test #55: test_isomorphism_2 ............... Passed 0.19 sec
+ 41/160 Test #49: test_lssr_1 ...................... Passed 0.48 sec
Start 57: test_isomorphism_4
- 43/160 Test #26: test_carspacegroup_2 ............. Passed 1.46 sec
+ 42/160 Test #55: test_isomorphism_2 ............... Passed 0.24 sec
Start 58: test_isomorphism_5
- 44/160 Test #28: test_carspacegroup_4 ............. Passed 1.51 sec
+ 43/160 Test #47: test_gzip_1 ...................... Passed 0.80 sec
Start 59: test_isomorphism_6
- 45/160 Test #27: test_carspacegroup_3 ............. Passed 1.53 sec
+ 44/160 Test #57: test_isomorphism_4 ............... Passed 0.20 sec
Start 60: test_isomorphism_7
- 46/160 Test #29: test_cifspacegroup_1 ............. Passed 1.52 sec
+ 45/160 Test #56: test_isomorphism_3 ............... Passed 0.27 sec
Start 61: test_isomorphism_8
- 47/160 Test #47: test_gzip_1 ...................... Passed 0.94 sec
+ 46/160 Test #29: test_cifspacegroup_1 ............. Passed 1.29 sec
Start 62: test_multicml_1
- 48/160 Test #56: test_isomorphism_3 ............... Passed 0.26 sec
+ 47/160 Test #58: test_isomorphism_5 ............... Passed 0.19 sec
Start 63: test_regressions_1
- 49/160 Test #57: test_isomorphism_4 ............... Passed 0.18 sec
+ 48/160 Test #59: test_isomorphism_6 ............... Passed 0.20 sec
Start 64: test_regressions_221
- 50/160 Test #30: test_cifspacegroup_2 ............. Passed 1.60 sec
+ 49/160 Test #61: test_isomorphism_8 ............... Passed 0.18 sec
Start 65: test_regressions_222
- 51/160 Test #58: test_isomorphism_5 ............... Passed 0.18 sec
+ 50/160 Test #60: test_isomorphism_7 ............... Passed 0.24 sec
Start 66: test_regressions_223
- 52/160 Test #59: test_isomorphism_6 ............... Passed 0.18 sec
+ 51/160 Test #62: test_multicml_1 .................. Passed 0.24 sec
Start 67: test_regressions_224
- 53/160 Test #60: test_isomorphism_7 ............... Passed 0.19 sec
+ 52/160 Test #27: test_carspacegroup_3 ............. Passed 1.56 sec
Start 68: test_rotor_1
- 54/160 Test #61: test_isomorphism_8 ............... Passed 0.18 sec
+ 53/160 Test #32: test_cifspacegroup_4 ............. Passed 1.53 sec
Start 69: test_rotor_2
- 55/160 Test #62: test_multicml_1 .................. Passed 0.18 sec
+ 54/160 Test #68: test_rotor_1 ..................... Passed 0.03 sec
Start 70: test_rotor_3
- 56/160 Test #68: test_rotor_1 ..................... Passed 0.04 sec
+ 55/160 Test #26: test_carspacegroup_2 ............. Passed 1.61 sec
Start 71: test_rotor_4
- 57/160 Test #32: test_cifspacegroup_4 ............. Passed 1.68 sec
+ 56/160 Test #63: test_regressions_1 ............... Passed 0.18 sec
Start 72: test_shuffle_1
- 58/160 Test #64: test_regressions_221 ............. Passed 0.20 sec
+ 57/160 Test #65: test_regressions_222 ............. Passed 0.17 sec
Start 73: test_shuffle_2
- 59/160 Test #63: test_regressions_1 ............... Passed 0.24 sec
+ 58/160 Test #64: test_regressions_221 ............. Passed 0.21 sec
Start 74: test_shuffle_3
- 60/160 Test #65: test_regressions_222 ............. Passed 0.21 sec
+ 59/160 Test #28: test_carspacegroup_4 ............. Passed 1.68 sec
Start 75: test_shuffle_4
- 61/160 Test #67: test_regressions_224 ............. Passed 0.20 sec
+ 60/160 Test #66: test_regressions_223 ............. Passed 0.20 sec
Start 76: test_shuffle_5
- 62/160 Test #69: test_rotor_2 ..................... Passed 0.18 sec
+ 61/160 Test #67: test_regressions_224 ............. Passed 0.18 sec
Start 77: test_smiles_1
- 63/160 Test #66: test_regressions_223 ............. Passed 0.28 sec
+ 62/160 Test #70: test_rotor_3 ..................... Passed 0.18 sec
Start 78: test_smiles_2
- 64/160 Test #70: test_rotor_3 ..................... Passed 0.20 sec
+ 63/160 Test #69: test_rotor_2 ..................... Passed 0.21 sec
Start 79: test_smiles_3
- 65/160 Test #71: test_rotor_4 ..................... Passed 0.21 sec
+ 64/160 Test #30: test_cifspacegroup_2 ............. Passed 1.78 sec
Start 80: test_spectrophore_1
- 66/160 Test #77: test_smiles_1 .................... Passed 0.20 sec
+ 65/160 Test #71: test_rotor_4 ..................... Passed 0.22 sec
Start 81: test_spectrophore_2
- 67/160 Test #78: test_smiles_2 .................... Passed 0.20 sec
+ 66/160 Test #78: test_smiles_2 .................... Passed 0.12 sec
Start 82: test_spectrophore_3
- 68/160 Test #75: test_shuffle_4 ................... Passed 0.35 sec
+ 67/160 Test #77: test_smiles_1 .................... Passed 0.19 sec
Start 83: test_spectrophore_4
- 69/160 Test #79: test_smiles_3 .................... Passed 0.26 sec
+ 68/160 Test #81: test_spectrophore_2 .............. Passed 0.11 sec
Start 84: test_spectrophore_5
- 70/160 Test #81: test_spectrophore_2 .............. Passed 0.12 sec
+ 69/160 Test #75: test_shuffle_4 ................... Passed 0.26 sec
Start 85: test_squareplanar_1
- 71/160 Test #82: test_spectrophore_3 .............. Passed 0.12 sec
+ 70/160 Test #82: test_spectrophore_3 .............. Passed 0.08 sec
Start 86: test_squareplanar_2
- 72/160 Test #85: test_squareplanar_1 .............. Passed 0.04 sec
+ 71/160 Test #85: test_squareplanar_1 .............. Passed 0.04 sec
Start 87: test_squareplanar_3
- 73/160 Test #86: test_squareplanar_2 .............. Passed 0.05 sec
+ 72/160 Test #86: test_squareplanar_2 .............. Passed 0.03 sec
Start 88: test_squareplanar_4
- 74/160 Test #84: test_spectrophore_5 .............. Passed 0.10 sec
+ 73/160 Test #79: test_smiles_3 .................... Passed 0.22 sec
Start 89: test_squareplanar_5
- 75/160 Test #87: test_squareplanar_3 .............. Passed 0.06 sec
+ 74/160 Test #87: test_squareplanar_3 .............. Passed 0.04 sec
Start 90: test_stereo_1
- 76/160 Test #88: test_squareplanar_4 .............. Passed 0.05 sec
+ 75/160 Test #83: test_spectrophore_4 .............. Passed 0.12 sec
Start 91: test_stereo_2
- 77/160 Test #83: test_spectrophore_4 .............. Passed 0.16 sec
+ 76/160 Test #84: test_spectrophore_5 .............. Passed 0.12 sec
Start 92: test_stereo_3
- 78/160 Test #89: test_squareplanar_5 .............. Passed 0.04 sec
+ 77/160 Test #88: test_squareplanar_4 .............. Passed 0.08 sec
Start 93: test_stereo_4
- 79/160 Test #90: test_stereo_1 .................... Passed 0.07 sec
+ 78/160 Test #89: test_squareplanar_5 .............. Passed 0.07 sec
Start 94: test_stereo_5
- 80/160 Test #91: test_stereo_2 .................... Passed 0.06 sec
+ 79/160 Test #90: test_stereo_1 .................... Passed 0.08 sec
Start 95: test_stereo_6
- 81/160 Test #92: test_stereo_3 .................... Passed 0.04 sec
+ 80/160 Test #91: test_stereo_2 .................... Passed 0.07 sec
Start 96: test_stereoperception_1
- 82/160 Test #93: test_stereo_4 .................... Passed 0.06 sec
+ 81/160 Test #92: test_stereo_3 .................... Passed 0.05 sec
Start 97: test_stereoperception_2
- 83/160 Test #94: test_stereo_5 .................... Passed 0.06 sec
+ 82/160 Test #93: test_stereo_4 .................... Passed 0.04 sec
Start 98: test_stereoperception_3
- 84/160 Test #76: test_shuffle_5 ................... Passed 0.64 sec
+ 83/160 Test #94: test_stereo_5 .................... Passed 0.07 sec
Start 99: test_stereoperception_4
- 85/160 Test #96: test_stereoperception_1 .......... Passed 0.19 sec
+ 84/160 Test #96: test_stereoperception_1 .......... Passed 0.18 sec
Start 100: test_tautomer_1
- 86/160 Test #97: test_stereoperception_2 .......... Passed 0.19 sec
+ 85/160 Test #97: test_stereoperception_2 .......... Passed 0.19 sec
Start 101: test_tautomer_2
- 87/160 Test #98: test_stereoperception_3 .......... Passed 0.20 sec
+ 86/160 Test #99: test_stereoperception_4 .......... Passed 0.18 sec
Start 102: test_tetrahedral_1
- 88/160 Test #102: test_tetrahedral_1 ............... Passed 0.03 sec
+ 87/160 Test #98: test_stereoperception_3 .......... Passed 0.21 sec
Start 103: test_tetrahedral_2
- 89/160 Test #99: test_stereoperception_4 .......... Passed 0.17 sec
+ 88/160 Test #102: test_tetrahedral_1 ............... Passed 0.03 sec
Start 104: test_tetrahedral_3
- 90/160 Test #103: test_tetrahedral_2 ............... Passed 0.04 sec
+ 89/160 Test #103: test_tetrahedral_2 ............... Passed 0.03 sec
Start 105: test_tetrahedral_4
- 91/160 Test #104: test_tetrahedral_3 ............... Passed 0.03 sec
+ 90/160 Test #104: test_tetrahedral_3 ............... Passed 0.04 sec
Start 106: test_tetrahedral_5
- 92/160 Test #74: test_shuffle_3 ................... Passed 0.94 sec
+ 91/160 Test #105: test_tetrahedral_4 ............... Passed 0.04 sec
Start 107: test_tetranonplanar_1
- 93/160 Test #105: test_tetrahedral_4 ............... Passed 0.05 sec
+ 92/160 Test #74: test_shuffle_3 ................... Passed 0.80 sec
Start 108: test_tetraplanar_1
- 94/160 Test #106: test_tetrahedral_5 ............... Passed 0.05 sec
+ 93/160 Test #106: test_tetrahedral_5 ............... Passed 0.06 sec
Start 109: test_uniqueid_1
- 95/160 Test #107: test_tetranonplanar_1 ............ Passed 0.03 sec
+ 94/160 Test #76: test_shuffle_5 ................... Passed 0.78 sec
Start 110: test_uniqueid_2
- 96/160 Test #108: test_tetraplanar_1 ............... Passed 0.04 sec
+ 95/160 Test #107: test_tetranonplanar_1 ............ Passed 0.06 sec
Start 111: test_aromatest_1
- 97/160 Test #100: test_tautomer_1 .................. Passed 0.20 sec
+ 96/160 Test #108: test_tetraplanar_1 ............... Passed 0.04 sec
Start 112: test_atom_1
- 98/160 Test #109: test_uniqueid_1 .................. Passed 0.06 sec
+ 97/160 Test #100: test_tautomer_1 .................. Passed 0.23 sec
Start 113: test_atom_2
- 99/160 Test #110: test_uniqueid_2 .................. Passed 0.05 sec
+ 98/160 Test #109: test_uniqueid_1 .................. Passed 0.06 sec
Start 114: test_atom_3
-100/160 Test #101: test_tautomer_2 .................. Passed 0.21 sec
+ 99/160 Test #110: test_uniqueid_2 .................. Passed 0.05 sec
Start 115: test_atom_4
-101/160 Test #112: test_atom_1 ...................... Passed 0.03 sec
+100/160 Test #101: test_tautomer_2 .................. Passed 0.27 sec
Start 116: test_bond_1
-102/160 Test #113: test_atom_2 ...................... Passed 0.06 sec
+101/160 Test #112: test_atom_1 ...................... Passed 0.09 sec
Start 117: test_cansmi_1
-103/160 Test #114: test_atom_3 ...................... Passed 0.05 sec
+102/160 Test #113: test_atom_2 ...................... Passed 0.09 sec
Start 118: test_charge_mmff94_1
-104/160 Test #115: test_atom_4 ...................... Passed 0.03 sec
+103/160 Test #114: test_atom_3 ...................... Passed 0.09 sec
Start 119: test_charge_gasteiger_1
-105/160 Test #116: test_bond_1 ...................... Passed 0.06 sec
+104/160 Test #115: test_atom_4 ...................... Passed 0.10 sec
Start 120: test_conversion_1
-106/160 Test #111: test_aromatest_1 ................. Passed 0.16 sec
+105/160 Test #116: test_bond_1 ...................... Passed 0.07 sec
Start 121: test_datatest_1
-107/160 Test #121: test_datatest_1 .................. Passed 0.02 sec
+106/160 Test #121: test_datatest_1 .................. Passed 0.03 sec
Start 122: test_ffgaff_1
-108/160 Test #120: test_conversion_1 ................ Passed 0.21 sec
+107/160 Test #111: test_aromatest_1 ................. Passed 0.22 sec
Start 123: test_ffghemical_1
-109/160 Test #95: test_stereo_6 .................... Passed 0.90 sec
+108/160 Test #120: test_conversion_1 ................ Passed 0.21 sec
Start 124: test_ffmmff94_1
-110/160 Test #119: test_charge_gasteiger_1 .......... Passed 0.38 sec
+109/160 Test #119: test_charge_gasteiger_1 .......... Passed 0.36 sec
Start 125: test_ffmmff94_2
-111/160 Test #80: test_spectrophore_1 .............. Passed 1.50 sec
+110/160 Test #95: test_stereo_6 .................... Passed 0.91 sec
Start 126: test_ffuff_1
-112/160 Test #118: test_charge_mmff94_1 ............. Passed 0.75 sec
+111/160 Test #80: test_spectrophore_1 .............. Passed 1.32 sec
Start 127: test_formalcharge_1
-113/160 Test #72: test_shuffle_1 ................... Passed 2.14 sec
+112/160 Test #72: test_shuffle_1 ................... Passed 1.65 sec
Start 128: test_format_1
-114/160 Test #73: test_shuffle_2 ................... Passed 2.19 sec
+113/160 Test #118: test_charge_mmff94_1 ............. Passed 0.85 sec
Start 129: test_formula_1
-115/160 Test #128: test_format_1 .................... Passed 0.22 sec
+114/160 Test #128: test_format_1 .................... Passed 0.26 sec
Start 130: test_internalcoord_1
-116/160 Test #130: test_internalcoord_1 ............. Passed 0.03 sec
+115/160 Test #130: test_internalcoord_1 ............. Passed 0.04 sec
Start 131: test_invalidsmarts_1
-117/160 Test #131: test_invalidsmarts_1 ............. Passed 0.03 sec
+116/160 Test #131: test_invalidsmarts_1 ............. Passed 0.07 sec
Start 132: test_invalidsmiles_1
-118/160 Test #132: test_invalidsmiles_1 ............. Passed 0.03 sec
+117/160 Test #132: test_invalidsmiles_1 ............. Passed 0.03 sec
Start 133: test_iterators_1
-119/160 Test #127: test_formalcharge_1 .............. Passed 0.90 sec
+118/160 Test #127: test_formalcharge_1 .............. Passed 0.75 sec
Start 134: test_logp_psa_1
-120/160 Test #51: test_lssr_3 ...................... Passed 3.93 sec
+119/160 Test #51: test_lssr_3 ...................... Passed 3.56 sec
Start 135: test_math_1
-121/160 Test #134: test_logp_psa_1 .................. Passed 0.39 sec
+120/160 Test #134: test_logp_psa_1 .................. Passed 0.32 sec
Start 136: test_math_2
-122/160 Test #135: test_math_1 ...................... Passed 0.32 sec
+121/160 Test #73: test_shuffle_2 ................... Passed 2.84 sec
Start 137: test_math_3
-123/160 Test #129: test_formula_1 ................... Passed 1.13 sec
+122/160 Test #135: test_math_1 ...................... Passed 0.32 sec
Start 138: test_math_4
-124/160 Test #133: test_iterators_1 ................. Passed 0.93 sec
+123/160 Test #129: test_formula_1 ................... Passed 1.02 sec
Start 139: test_mol_1
-125/160 Test #137: test_math_3 ...................... Passed 0.06 sec
+124/160 Test #133: test_iterators_1 ................. Passed 1.03 sec
Start 140: test_phmodel_1
-126/160 Test #52: test_lssr_4 ...................... Passed 4.50 sec
+125/160 Test #136: test_math_2 ...................... Passed 0.53 sec
Start 141: test_residue_1
-127/160 Test #136: test_math_2 ...................... Passed 0.42 sec
+126/160 Test #137: test_math_3 ...................... Passed 0.31 sec
Start 142: test_ringtest_1
-128/160 Test #138: test_math_4 ...................... Passed 0.33 sec
+127/160 Test #52: test_lssr_4 ...................... Passed 4.18 sec
Start 143: test_smartstest_1
-129/160 Test #139: test_mol_1 ....................... Passed 0.34 sec
+128/160 Test #138: test_math_4 ...................... Passed 0.31 sec
Start 144: test_smartsparse_1
-130/160 Test #144: test_smartsparse_1 ............... Passed 0.06 sec
+129/160 Test #144: test_smartsparse_1 ............... Passed 0.07 sec
Start 145: test_smilesmatch_1
-131/160 Test #140: test_phmodel_1 ................... Passed 0.40 sec
+130/160 Test #139: test_mol_1 ....................... Passed 0.36 sec
Start 146: test_unitcell_1
-132/160 Test #146: test_unitcell_1 .................. Passed 0.04 sec
+131/160 Test #146: test_unitcell_1 .................. Passed 0.04 sec
Start 147: test_cmlreadfile_1
-133/160 Test #141: test_residue_1 ................... Passed 0.36 sec
+132/160 Test #140: test_phmodel_1 ................... Passed 0.43 sec
Start 148: inchiSamples.sdf_Test
-134/160 Test #147: test_cmlreadfile_1 ............... Passed 0.31 sec
+133/160 Test #141: test_residue_1 ................... Passed 0.38 sec
Start 149: inchiSamplesTechMan.sdf_Test
-135/160 Test #142: test_ringtest_1 .................. Passed 0.95 sec
+134/160 Test #147: test_cmlreadfile_1 ............... Passed 0.30 sec
Start 150: inchiSteffen_PubChem.smi_Test
-136/160 Test #149: inchiSamplesTechMan.sdf_Test ..... Passed 0.62 sec
+135/160 Test #142: test_ringtest_1 .................. Passed 0.87 sec
Start 151: pytest_babel
-137/160 Test #148: inchiSamples.sdf_Test ............ Passed 1.08 sec
+136/160 Test #149: inchiSamplesTechMan.sdf_Test ..... Passed 0.60 sec
Start 152: pytest_sym
-138/160 Test #143: test_smartstest_1 ................ Passed 1.54 sec
+137/160 Test #150: inchiSteffen_PubChem.smi_Test .... Passed 0.50 sec
Start 153: pytest_smartssym
-139/160 Test #150: inchiSteffen_PubChem.smi_Test .... Passed 0.60 sec
+138/160 Test #148: inchiSamples.sdf_Test ............ Passed 1.01 sec
Start 154: pytest_fastsearch
-140/160 Test #151: pytest_babel ..................... Passed 0.61 sec
+139/160 Test #151: pytest_babel ..................... Passed 0.46 sec
Start 155: pytest_unique
-141/160 Test #123: test_ffghemical_1 ................ Passed 4.12 sec
+140/160 Test #143: test_smartstest_1 ................ Passed 1.43 sec
Start 156: pytest_kekule
-142/160 Test #126: test_ffuff_1 ..................... Passed 4.16 sec
+141/160 Test #123: test_ffghemical_1 ................ Passed 4.00 sec
Start 157: pytest_pdbformat
-143/160 Test #122: test_ffgaff_1 .................... Passed 4.89 sec
+142/160 Test #122: test_ffgaff_1 .................... Passed 4.40 sec
Start 158: pybindtest_bindings
-144/160 Test #154: pytest_fastsearch ................ Passed 1.26 sec
+143/160 Test #154: pytest_fastsearch ................ Passed 1.27 sec
Start 159: pybindtest__pybel
-145/160 Test #157: pytest_pdbformat ................. Passed 0.61 sec
+144/160 Test #126: test_ffuff_1 ..................... Passed 4.42 sec
Start 160: pybindtest_example
-146/160 Test #117: test_cansmi_1 .................... Passed 5.57 sec
-147/160 Test #158: pybindtest_bindings .............. Passed 1.49 sec
-148/160 Test #160: pybindtest_example ............... Passed 1.42 sec
-149/160 Test #155: pytest_unique .................... Passed 3.52 sec
-150/160 Test #145: test_smilesmatch_1 ............... Passed 5.85 sec
-151/160 Test #156: pytest_kekule .................... Passed 7.14 sec
-152/160 Test #50: test_lssr_2 ...................... Passed 18.28 sec
-153/160 Test #153: pytest_smartssym ................. Passed 12.44 sec
-154/160 Test #24: test_canonstable_1 ............... Passed 78.42 sec
-155/160 Test #125: test_ffmmff94_2 .................. Passed 588.64 sec
-156/160 Test #16: test_builder_1 ...................***Timeout 1500.23 sec
+145/160 Test #157: pytest_pdbformat ................. Passed 0.74 sec
+146/160 Test #117: test_cansmi_1 .................... Passed 5.60 sec
+147/160 Test #158: pybindtest_bindings .............. Passed 1.57 sec
+148/160 Test #160: pybindtest_example ............... Passed 1.39 sec
+149/160 Test #155: pytest_unique .................... Passed 3.50 sec
+150/160 Test #145: test_smilesmatch_1 ............... Passed 5.54 sec
+151/160 Test #156: pytest_kekule .................... Passed 7.35 sec
+152/160 Test #50: test_lssr_2 ...................... Passed 16.05 sec
+153/160 Test #153: pytest_smartssym ................. Passed 14.21 sec
+154/160 Test #24: test_canonstable_1 ............... Passed 69.32 sec
+155/160 Test #125: test_ffmmff94_2 .................. Passed 625.03 sec
+156/160 Test #16: test_builder_1 ...................***Timeout 1500.12 sec
Starting forcefield.sdf
/Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
/Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
-/Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
-157/160 Test #17: test_builder_2 ...................***Timeout 1500.23 sec
+157/160 Test #17: test_builder_2 ...................***Timeout 1500.12 sec
Starting filterset.sdf
56
137
135
-134
-158/160 Test #124: test_ffmmff94_1 ..................***Timeout 1500.07 sec
+158/160 Test #124: test_ffmmff94_1 ..................***Timeout 1500.06 sec
# Testing MMFF94 Force Field...
ok 1 # energy
----------------------------------------------------------------------------------------
@@ -5187,7 +5220,7 @@
angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03)
strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02)
torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00)
electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00)
10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31)
@@ -5291,7 +5324,7 @@
angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01)
strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00)
torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00)
electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00)
23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06)
@@ -5307,7 +5340,7 @@
angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02)
strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00)
torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10)
@@ -5315,7 +5348,7 @@
angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01)
strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00)
torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02)
@@ -5323,7 +5356,7 @@
angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00)
strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00)
torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01)
@@ -5333,15 +5366,15 @@
torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01)
bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00)
angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00)
strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00)
torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
29 ( -0.042, 0.017, 0.205) ( -0.040, 0.019, 0.206) ( 0.01, 0.00, 0.03)
bond ( 0.190, -0.138, 0.157) ( 0.192, -0.137, 0.158) ( 0.03, 0.01, 0.02)
angle ( -1.278, -5.641, -3.328) ( -1.277, -5.640, -3.328) ( 0.02, 0.01, 0.01)
@@ -5349,23 +5382,23 @@
torsion ( -0.378, 0.160, 0.596) ( -0.378, 0.160, 0.596) ( 0.00, 0.00, 0.00)
oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.482, 6.333, 2.621) ( 1.482, 6.333, 2.621) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
30 ( 0.055, -0.028, 0.141) ( 0.056, -0.027, 0.144) ( 0.01, 0.00, 0.03)
bond ( -0.443, -0.386, 0.756) ( -0.442, -0.386, 0.759) ( 0.03, 0.02, 0.16)
angle ( -0.262, -0.474, -0.393) ( -0.261, -0.474, -0.393) ( 0.01, 0.02, 0.01)
strbnd ( -0.413, -0.294, -0.338) ( -0.413, -0.294, -0.338) ( 0.00, 0.00, 0.00)
torsion ( 0.017, -0.020, -0.001) ( 0.017, -0.020, -0.001) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.156, 1.146, 0.117) ( 1.156, 1.146, 0.117) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
31 ( -0.052, 0.041, 0.085) ( -0.051, 0.043, 0.086) ( 0.01, 0.01, 0.01)
bond ( 0.468, -0.992, -0.774) ( 0.469, -0.990, -0.773) ( 0.02, 0.18, 0.09)
angle ( -4.788, 0.065, -2.987) ( -4.788, 0.065, -2.987) ( 0.01, 0.00, 0.01)
strbnd ( -0.780, 0.245, 0.269) ( -0.780, 0.245, 0.269) ( 0.00, 0.00, 0.00)
torsion ( 0.095, -0.413, 0.587) ( 0.095, -0.413, 0.587) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 4.954, 1.137, 2.990) ( 4.954, 1.137, 2.990) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
32 ( 0.029, -0.014, -0.100) ( 0.031, -0.012, -0.100) ( 0.01, 0.00, 0.01)
bond ( 0.990, 1.125, 0.207) ( 0.992, 1.126, 0.207) ( 0.14, 0.17, 0.00)
angle ( 3.214, -2.731, -0.541) ( 3.214, -2.730, -0.540) ( 0.01, 0.01, 0.02)
@@ -5379,17 +5412,17 @@
angle ( 2.741, 1.372, 0.138) ( 2.741, 1.373, 0.138) ( 0.02, 0.03, 0.00)
strbnd ( 0.276, -0.000, 0.286) ( 0.276, -0.000, 0.286) ( 0.00, 0.00, 0.00)
torsion ( -0.286, -0.647, 0.304) ( -0.286, -0.647, 0.304) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.131, -0.007, 0.292) ( -3.131, -0.007, 0.292) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
34 ( 0.075, -0.007, -0.103) ( 0.076, -0.006, -0.101) ( 0.00, 0.00, 0.02)
bond ( 0.035, -0.551, 0.735) ( 0.035, -0.550, 0.737) ( 0.00, 0.07, 0.16)
angle ( 1.556, 0.759, 0.492) ( 1.556, 0.759, 0.493) ( 0.03, 0.02, 0.01)
strbnd ( 0.359, -0.089, -0.017) ( 0.359, -0.089, -0.017) ( 0.00, 0.00, 0.00)
torsion ( -0.120, -0.433, -0.317) ( -0.120, -0.433, -0.317) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.755, 0.308, -0.996) ( -1.755, 0.308, -0.996) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
35 ( 1.750, -1.226, 0.260) ( 1.752, -1.223, 0.261) ( 0.10, 0.24, 0.04)
bond ( 0.213, 0.288, -0.021) ( 0.214, 0.290, -0.021) ( 0.03, 0.07, 0.00)
angle ( 0.833, -0.601, 0.186) ( 0.834, -0.601, 0.186) ( 0.04, 0.01, 0.00)
@@ -5490,7 +5523,7 @@
7 ( -0.447, -0.202, -0.130) ( -0.443, -0.195, -0.129) ( 0.18, 0.16, 0.01)
bond ( 0.245, 0.341, 0.076) ( 0.249, 0.348, 0.077) ( 0.10, 0.26, 0.00)
angle ( -0.389, 0.299, -0.100) ( -0.389, 0.299, -0.099) ( 0.01, 0.00, 0.00)
- strbnd ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ strbnd ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.646, 0.581, 0.189) ( 0.646, 0.581, 0.189) ( 0.00, 0.00, 0.00)
@@ -5519,7 +5552,7 @@
torsion ( -0.008, -0.021, -0.086) ( -0.008, -0.021, -0.086) ( 0.00, 0.00, 0.00)
oop ( 0.000, 0.026, 0.015) ( 0.000, 0.022, 0.012) ( 0.00, 0.01, 0.00)
vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
3 ( -0.084, -0.011, 0.022) ( -0.082, -0.014, 0.025) ( 0.02, 0.00, 0.01)
bond ( -1.795, -1.762, 3.022) ( -1.793, -1.760, 3.028) ( 0.11, 0.11, 0.18)
angle ( -8.883, 2.272, -3.938) ( -8.882, 2.272, -3.938) ( 0.01, 0.00, 0.00)
@@ -5557,7 +5590,7 @@
angle ( 1.553, -0.437, 0.860) ( 1.553, -0.437, 0.860) ( 0.03, 0.00, 0.04)
strbnd ( 0.368, 0.645, -0.047) ( 0.368, 0.645, -0.047) ( 0.00, 0.00, 0.00)
torsion ( -0.015, 0.001, -0.149) ( -0.015, 0.001, -0.149) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.977, -0.460, -0.633) ( -1.977, -0.460, -0.633) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
8 ( -0.053, 0.067, 0.183) ( -0.052, 0.068, 0.186) ( 0.00, 0.01, 0.05)
@@ -5573,9 +5606,9 @@
angle ( 1.546, 0.380, -0.664) ( 1.547, 0.380, -0.664) ( 0.03, 0.01, 0.01)
strbnd ( 0.317, -0.116, 0.199) ( 0.317, -0.116, 0.199) ( 0.00, 0.00, 0.00)
torsion ( -0.000, 0.006, 0.003) ( -0.000, 0.006, 0.003) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.052, -0.097, 0.162) ( -2.052, -0.097, 0.162) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
ok 6 # gradients
ok 7 # energy
----------------------------------------------------------------------------------------
@@ -5590,7 +5623,7 @@
angle ( 1.859, -4.639, 2.751) ( 1.861, -4.637, 2.752) ( 0.10, 0.04, 0.06)
strbnd ( 0.352, -0.450, 0.642) ( 0.351, -0.450, 0.641) ( 0.05, 0.03, 0.04)
torsion ( -0.296, -0.439, 0.009) ( -0.296, -0.439, 0.009) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 5.689, 2.322, 0.608) ( 5.689, 2.322, 0.608) ( 0.00, 0.00, 0.00)
electro ( -2.279, 0.731, -1.001) ( -2.279, 0.731, -1.001) ( 0.00, 0.00, 0.00)
2 ( -0.776, -0.622, -0.218) ( -0.780, -0.606, -0.189) ( 0.23, 0.97, 0.62)
@@ -5606,7 +5639,7 @@
angle ( -5.704, 0.511, -1.299) ( -5.703, 0.511, -1.299) ( 0.01, 0.00, 0.04)
strbnd ( -0.435, 0.449, -0.226) ( -0.435, 0.449, -0.226) ( 0.00, 0.00, 0.00)
torsion ( -0.156, -0.037, 0.231) ( -0.156, -0.037, 0.231) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 6.326, -2.115, 0.844) ( 6.326, -2.115, 0.844) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
4 ( -0.154, -0.035, 0.283) ( -0.151, -0.034, 0.284) ( 0.04, 0.00, 0.03)
@@ -5694,7 +5727,7 @@
bond ( -9.351, 26.406, -0.000) ( -9.351, 26.409, 0.000) ( 0.00, 0.01, 0.00)
angle ( 1.760, 0.623, -0.007) ( 1.760, 0.623, -0.006) ( 0.03, 0.00, 0.00)
strbnd ( -1.908, -0.349, 0.000) ( -1.908, -0.349, 0.000) ( 0.00, 0.00, 0.00)
- torsion ( -0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00)
+ torsion ( 0.000, -0.000, 0.152) ( 0.000, 0.000, 0.152) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 7.187, 1.385, -0.040) ( 7.187, 1.385, -0.040) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
@@ -5718,7 +5751,7 @@
bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00)
angle ( -0.000, -1.856, -0.010) ( 0.000, -1.856, -0.009) ( 0.00, 0.03, 0.00)
strbnd ( 0.304, 1.915, -0.000) ( 0.304, 1.915, -0.000) ( 0.00, 0.00, 0.00)
- torsion ( 0.000, 0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00)
+ torsion ( -0.000, -0.000, -0.469) ( 0.000, 0.000, -0.469) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
@@ -5777,13 +5810,13 @@
strbnd ( 20.845, -29.505, 51.044) ( 20.845, -29.506, 51.044) ( 0.00, 0.00, 0.00)
torsion ( -0.002, -0.001, -0.002) ( -0.002, -0.001, -0.002) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ vdw ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
2 (267.229, 1.097, -1.985) (267.239, 1.101, -1.981) ( 0.00, 0.37, 0.20)
bond (324.092, 0.002, 0.003) (324.102, 0.005, 0.006) ( 0.00, 0.00, 0.00)
angle ( -7.067, -9.049, 15.613) ( -7.066, -9.047, 15.614) ( 0.02, 0.02, 0.01)
strbnd (-54.347, 8.796, -15.254) (-54.349, 8.796, -15.255) ( 0.00, 0.00, 0.00)
- torsion ( -0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00)
+ torsion ( 0.000, 0.001, -0.000) ( 0.000, 0.001, -0.000) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 4.551, 1.346, -2.346) ( 4.551, 1.346, -2.346) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
@@ -5829,9 +5862,9 @@
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
8 ( 27.412, -19.113, -1.101) ( 27.414, -19.112, -1.100) ( 0.01, 0.00, 0.05)
bond ( 28.025, -0.000, -0.000) ( 28.028, 0.000, 0.000) ( 0.01, 0.00, 0.00)
- angle ( 0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00)
+ angle ( -0.000, -2.447, -0.010) ( 0.000, -2.447, -0.009) ( 0.00, 0.02, 0.00)
strbnd ( 0.148, -14.767, -0.000) ( 0.148, -14.767, -0.000) ( 0.00, 0.00, 0.00)
- torsion ( 0.000, 0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00)
+ torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, -0.000) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.762, -1.899, -1.090) ( -0.762, -1.899, -1.090) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
@@ -6065,9 +6098,9 @@
angle ( 12.507, 0.572, 0.600) ( 12.509, 0.573, 0.602) ( 0.02, 0.10, 0.10)
strbnd ( 0.608, -3.802, 1.723) ( 0.607, -3.803, 1.722) ( 0.05, 0.02, 0.03)
torsion ( -1.338, 1.223, -0.733) ( -1.338, 1.223, -0.733) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.970, 7.085, -4.139) ( -1.970, 7.085, -4.139) ( 0.01, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
24 ( 0.006, -0.005, 0.058) ( 0.012, 0.000, 0.060) ( 0.00, 0.00, 0.02)
bond ( -0.866, -18.509, 3.882) ( -0.862, -18.505, 3.887) ( 0.40, 0.02, 0.12)
angle ( 5.959, 26.024, -8.109) ( 5.962, 26.026, -8.108) ( 0.04, 0.01, 0.02)
@@ -6081,7 +6114,7 @@
angle ( -5.572, -18.333, 5.423) ( -5.570, -18.330, 5.425) ( 0.04, 0.01, 0.03)
strbnd ( -1.114, -2.631, -0.165) ( -1.115, -2.631, -0.166) ( 0.10, 0.02, 0.00)
torsion ( 3.318, -0.490, -3.647) ( 3.318, -0.490, -3.647) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 7.225, 9.078, -0.852) ( 7.225, 9.078, -0.852) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
26 ( -0.228, 0.018, 0.143) ( -0.223, 0.024, 0.149) ( 0.11, 0.01, 0.08)
@@ -6089,7 +6122,7 @@
angle ( -8.266, 12.873, -7.689) ( -8.264, 12.875, -7.687) ( 0.02, 0.02, 0.03)
strbnd ( 1.193, 5.294, 4.137) ( 1.192, 5.293, 4.136) ( 0.07, 0.01, 0.03)
torsion ( -0.164, -0.701, 3.652) ( -0.164, -0.701, 3.652) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.542, -1.377, 0.272) ( -0.542, -1.377, 0.272) ( 0.01, 0.00, 0.00)
electro ( 3.125, -0.209, 0.725) ( 3.125, -0.209, 0.725) ( 0.00, 0.00, 0.00)
27 ( -0.131, 0.200, 0.315) ( -0.126, 0.205, 0.322) ( 0.06, 0.11, 0.19)
@@ -6097,15 +6130,15 @@
angle ( -2.830, -11.271, 1.923) ( -2.828, -11.269, 1.924) ( 0.07, 0.02, 0.10)
strbnd ( 1.105, -0.095, 0.631) ( 1.104, -0.095, 0.630) ( 0.10, 0.01, 0.02)
torsion ( 1.263, -4.544, -4.977) ( 1.263, -4.544, -4.977) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.574, 1.387, 1.663) ( 1.574, 1.387, 1.663) ( 0.01, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
28 ( -0.164, 0.308, 0.056) ( -0.159, 0.314, 0.060) ( 0.08, 0.19, 0.03)
bond ( -2.953, -11.140, 2.764) ( -2.949, -11.136, 2.768) ( 0.12, 0.04, 0.15)
angle ( -6.707, 11.635, 3.591) ( -6.705, 11.637, 3.594) ( 0.03, 0.02, 0.06)
strbnd ( 1.933, -1.383, -4.721) ( 1.932, -1.383, -4.722) ( 0.05, 0.02, 0.03)
torsion ( -0.767, 1.045, 0.680) ( -0.767, 1.045, 0.680) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.685, -1.579, 0.134) ( -1.684, -1.579, 0.134) ( 0.01, 0.00, 0.00)
electro ( 10.015, 1.730, -2.393) ( 10.015, 1.730, -2.393) ( 0.00, 0.00, 0.00)
29 ( -0.089, 0.132, -0.028) ( -0.179, 0.268, 0.043) ( 0.80, 1.80, 0.20)
@@ -6145,7 +6178,7 @@
angle ( 8.749, -2.680, 5.549) ( 8.750, -2.680, 5.550) ( 0.01, 0.01, 0.02)
strbnd ( 0.282, -2.395, -3.567) ( 0.282, -2.395, -3.567) ( 0.00, 0.00, 0.01)
torsion ( -0.756, 0.926, -0.619) ( -0.756, 0.926, -0.619) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.059, 4.362, 2.702) ( 2.059, 4.362, 2.702) ( 0.01, 0.00, 0.00)
electro (-11.239, 1.825, -2.594) (-11.239, 1.825, -2.594) ( 0.00, 0.00, 0.00)
34 ( 0.039, 0.551, 0.057) ( 0.045, 0.552, 0.061) ( 0.02, 0.04, 0.02)
@@ -6153,7 +6186,7 @@
angle ( 3.434, -0.862, -3.531) ( 3.435, -0.861, -3.530) ( 0.02, 0.04, 0.03)
strbnd ( -0.868, -0.657, 2.046) ( -0.868, -0.658, 2.046) ( 0.01, 0.00, 0.02)
torsion ( -0.397, 0.278, 0.129) ( -0.397, 0.278, 0.129) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.894, 2.781, 6.709) ( -1.894, 2.781, 6.709) ( 0.01, 0.00, 0.00)
electro (-13.976, -4.035, 5.969) (-13.976, -4.035, 5.969) ( 0.00, 0.00, 0.00)
35 ( 0.215, -0.454, -0.523) ( 0.219, -0.455, -0.518) ( 0.09, 0.03, 0.24)
@@ -6259,55 +6292,55 @@
torsion ( 0.081, 1.012, -0.193) ( 0.081, 1.012, -0.193) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.317, 0.020, -1.836) ( -0.317, 0.020, -1.835) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
48 ( 0.158, 0.208, 0.381) ( 0.161, 0.209, 0.382) ( 0.05, 0.03, 0.02)
bond ( -1.345, -0.662, -0.174) ( -1.342, -0.661, -0.174) ( 0.21, 0.04, 0.00)
angle ( 2.482, -5.347, 1.171) ( 2.482, -5.347, 1.171) ( 0.00, 0.01, 0.04)
strbnd ( -0.569, -0.838, -0.623) ( -0.569, -0.838, -0.623) ( 0.00, 0.00, 0.00)
torsion ( 0.479, -1.375, 1.531) ( 0.479, -1.375, 1.531) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.889, 8.429, -1.524) ( -0.889, 8.429, -1.524) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
49 ( 0.370, -0.684, 0.437) ( 0.371, -0.684, 0.441) ( 0.03, 0.03, 0.14)
bond ( -0.186, 0.025, -0.685) ( -0.186, 0.025, -0.682) ( 0.00, 0.00, 0.22)
angle ( 1.336, -2.129, -0.442) ( 1.336, -2.128, -0.442) ( 0.04, 0.02, 0.00)
strbnd ( 0.611, -0.262, -0.310) ( 0.611, -0.262, -0.310) ( 0.00, 0.00, 0.00)
torsion ( -0.104, -0.201, 0.021) ( -0.104, -0.201, 0.021) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.287, 1.882, 1.854) ( -1.287, 1.882, 1.854) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
50 ( 0.588, 0.088, 1.012) ( 0.589, 0.092, 1.013) ( 0.04, 0.03, 0.07)
bond ( 0.403, -2.471, 0.627) ( 0.403, -2.468, 0.627) ( 0.00, 0.12, 0.01)
angle ( 5.516, 0.699, -0.794) ( 5.517, 0.699, -0.793) ( 0.01, 0.00, 0.04)
strbnd ( 0.314, 1.208, -0.817) ( 0.314, 1.208, -0.817) ( 0.00, 0.00, 0.00)
torsion ( -0.531, -0.207, -0.474) ( -0.531, -0.207, -0.474) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -5.114, 0.860, 2.470) ( -5.114, 0.860, 2.470) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
51 ( -0.316, -0.193, -0.505) ( -0.315, -0.192, -0.503) ( 0.06, 0.02, 0.10)
bond ( 0.716, -0.298, -0.826) ( 0.717, -0.297, -0.824) ( 0.10, 0.01, 0.15)
angle ( 1.189, -5.329, 2.958) ( 1.189, -5.328, 2.959) ( 0.03, 0.01, 0.01)
strbnd ( -0.047, -0.589, -0.422) ( -0.047, -0.589, -0.422) ( 0.00, 0.00, 0.00)
torsion ( 0.936, -0.735, 1.080) ( 0.936, -0.735, 1.080) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.110, 6.758, -3.296) ( -3.110, 6.758, -3.296) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
52 ( -0.101, -0.092, -0.176) ( -0.100, -0.090, -0.175) ( 0.01, 0.02, 0.01)
bond ( 1.134, -2.431, 0.852) ( 1.134, -2.428, 0.852) ( 0.05, 0.10, 0.03)
angle ( -3.696, -1.139, 1.674) ( -3.696, -1.138, 1.675) ( 0.01, 0.01, 0.03)
strbnd ( -1.209, 1.211, -0.450) ( -1.209, 1.211, -0.450) ( 0.00, 0.00, 0.00)
torsion ( -0.018, 0.060, 0.194) ( -0.018, 0.060, 0.194) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 3.689, 2.206, -2.447) ( 3.689, 2.206, -2.447) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
53 ( 0.304, -0.091, -0.474) ( 0.305, -0.090, -0.471) ( 0.04, 0.01, 0.12)
bond ( -0.341, -0.134, -0.569) ( -0.341, -0.134, -0.567) ( 0.03, 0.00, 0.14)
angle ( 0.912, -4.148, 0.434) ( 0.913, -4.147, 0.434) ( 0.03, 0.01, 0.01)
strbnd ( -0.362, -0.327, 0.331) ( -0.362, -0.327, 0.331) ( 0.00, 0.00, 0.00)
torsion ( 0.427, -0.471, -0.145) ( 0.427, -0.471, -0.145) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.333, 4.990, -0.524) ( -0.333, 4.990, -0.524) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
54 ( 0.047, 0.327, 0.213) ( 0.048, 0.328, 0.216) ( 0.00, 0.04, 0.06)
bond ( 0.044, 0.448, -1.022) ( 0.044, 0.449, -1.019) ( 0.00, 0.02, 0.28)
angle ( -5.073, 4.709, 1.855) ( -5.072, 4.710, 1.855) ( 0.01, 0.01, 0.00)
@@ -6315,15 +6348,15 @@
torsion ( 0.301, 0.513, 0.239) ( 0.301, 0.513, 0.239) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 5.463, -4.236, -0.352) ( 5.463, -4.236, -0.352) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
55 ( -0.139, -0.301, 0.325) ( -0.139, -0.299, 0.327) ( 0.01, 0.06, 0.06)
bond ( 0.004, -0.058, -0.057) ( 0.004, -0.056, -0.056) ( 0.00, 0.01, 0.01)
angle ( -0.993, 1.847, -1.929) ( -0.992, 1.847, -1.929) ( 0.07, 0.01, 0.01)
strbnd ( -0.720, -1.271, 0.377) ( -0.720, -1.271, 0.377) ( 0.00, 0.00, 0.00)
torsion ( 0.101, 0.125, -0.120) ( 0.101, 0.125, -0.120) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.469, -0.945, 2.055) ( 1.469, -0.944, 2.055) ( 0.01, 0.01, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
56 ( -0.037, -0.300, -0.241) ( -0.036, -0.299, -0.238) ( 0.00, 0.04, 0.06)
bond ( 0.176, 1.777, -3.219) ( 0.177, 1.777, -3.216) ( 0.00, 0.04, 0.08)
angle ( -1.373, -1.962, -1.160) ( -1.373, -1.962, -1.159) ( 0.05, 0.02, 0.01)
@@ -6331,31 +6364,31 @@
torsion ( -1.378, 0.531, 0.218) ( -1.378, 0.532, 0.218) ( 0.00, 0.00, 0.00)
oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.841, -0.714, 2.749) ( 2.842, -0.714, 2.749) ( 0.01, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
57 ( 0.041, 0.148, -0.296) ( 0.041, 0.150, -0.294) ( 0.00, 0.03, 0.06)
bond ( -0.135, 2.007, 2.146) ( -0.135, 2.009, 2.147) ( 0.00, 0.08, 0.08)
angle ( 0.451, -0.692, 0.675) ( 0.452, -0.692, 0.675) ( 0.03, 0.02, 0.02)
strbnd ( -0.177, -0.030, -0.939) ( -0.177, -0.030, -0.939) ( 0.00, 0.00, 0.00)
torsion ( -1.075, -0.300, 0.213) ( -1.075, -0.300, 0.213) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.976, -0.838, -2.392) ( 0.976, -0.838, -2.392) ( 0.02, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
58 ( -0.254, 0.017, -0.064) ( -0.254, 0.019, -0.062) ( 0.02, 0.00, 0.02)
bond ( -0.040, -1.500, 1.928) ( -0.040, -1.499, 1.930) ( 0.00, 0.08, 0.11)
angle ( -1.136, 1.312, 0.995) ( -1.135, 1.312, 0.995) ( 0.05, 0.03, 0.02)
strbnd ( 0.280, -0.457, -0.574) ( 0.280, -0.457, -0.574) ( 0.00, 0.00, 0.00)
torsion ( 0.158, 0.214, 0.170) ( 0.158, 0.214, 0.170) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.484, 0.449, -2.583) ( 0.484, 0.449, -2.583) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
59 ( -0.039, 0.371, 0.524) ( -0.039, 0.373, 0.526) ( 0.00, 0.07, 0.11)
bond ( 0.250, 2.246, -2.453) ( 0.250, 2.247, -2.451) ( 0.00, 0.07, 0.07)
angle ( -0.227, 0.092, 0.062) ( -0.226, 0.092, 0.062) ( 0.01, 0.00, 0.00)
strbnd ( -0.193, -0.135, 1.231) ( -0.193, -0.135, 1.231) ( 0.00, 0.00, 0.00)
torsion ( 0.564, 2.085, 1.969) ( 0.564, 2.085, 1.969) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.433, -3.917, -0.285) ( -0.433, -3.917, -0.285) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
60 ( -0.063, -0.072, 0.504) ( -0.062, -0.071, 0.506) ( 0.01, 0.01, 0.13)
bond ( 0.260, 1.745, 3.031) ( 0.260, 1.746, 3.033) ( 0.00, 0.05, 0.08)
angle ( 3.751, -1.603, 0.601) ( 3.752, -1.603, 0.601) ( 0.02, 0.02, 0.01)
@@ -6363,13 +6396,13 @@
torsion ( -1.382, 1.853, -0.948) ( -1.382, 1.853, -0.948) ( 0.00, 0.00, 0.00)
oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.493, -2.052, -0.640) ( -2.493, -2.052, -0.640) ( 0.01, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
61 ( -0.281, 0.189, -0.034) ( -0.280, 0.192, -0.033) ( 0.02, 0.06, 0.00)
bond ( 0.133, -2.004, 0.580) ( 0.133, -2.001, 0.581) ( 0.00, 0.15, 0.02)
angle ( 0.076, -0.444, -1.547) ( 0.077, -0.444, -1.546) ( 0.00, 0.00, 0.04)
strbnd ( -0.121, -0.013, 0.295) ( -0.121, -0.013, 0.295) ( 0.00, 0.00, 0.00)
torsion ( 0.940, 0.033, -0.103) ( 0.940, 0.033, -0.103) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.309, 2.616, 0.740) ( -1.309, 2.616, 0.740) ( 0.01, 0.00, 0.00)
electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
62 ( -0.037, 0.359, 0.037) ( -0.037, 0.362, 0.038) ( 0.00, 0.10, 0.00)
@@ -6377,17 +6410,17 @@
angle ( -0.273, 0.763, 1.769) ( -0.273, 0.763, 1.769) ( 0.01, 0.01, 0.02)
strbnd ( -0.325, 0.488, 0.279) ( -0.325, 0.488, 0.279) ( 0.00, 0.00, 0.00)
torsion ( 1.294, 0.792, 0.827) ( 1.294, 0.792, 0.827) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.153, -3.573, -1.933) ( -0.153, -3.573, -1.933) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
63 ( -0.297, 0.195, 0.097) ( -0.296, 0.196, 0.100) ( 0.03, 0.01, 0.03)
bond ( 0.610, 0.315, 1.633) ( 0.610, 0.315, 1.636) ( 0.02, 0.00, 0.18)
angle ( -1.418, 1.386, 0.261) ( -1.418, 1.387, 0.261) ( 0.03, 0.03, 0.00)
strbnd ( -0.282, 0.382, 0.365) ( -0.282, 0.382, 0.365) ( 0.00, 0.00, 0.00)
torsion ( 0.426, 0.990, -0.350) ( 0.426, 0.990, -0.350) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.367, -2.878, -1.812) ( 0.367, -2.878, -1.812) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
64 ( 5.704, -0.249, 0.138) ( 5.704, -0.244, 0.139) ( 0.00, 0.13, 0.01)
bond ( 0.052, 0.524, -0.141) ( 0.052, 0.529, -0.141) ( 0.00, 0.27, 0.01)
angle ( 0.150, -0.836, -3.088) ( 0.150, -0.836, -3.088) ( 0.00, 0.00, 0.02)
@@ -6401,7 +6434,7 @@
angle ( 0.082, -0.169, 2.424) ( 0.082, -0.169, 2.425) ( 0.00, 0.00, 0.02)
strbnd ( 0.390, 0.135, -0.958) ( 0.390, 0.135, -0.958) ( 0.00, 0.00, 0.00)
torsion ( -0.084, 0.524, 0.039) ( -0.084, 0.524, 0.039) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.216, 1.133, 7.265) ( -1.216, 1.133, 7.265) ( 0.00, 0.00, 0.00)
electro ( 17.799, 1.709, -9.304) ( 17.799, 1.709, -9.304) ( 0.00, 0.00, 0.00)
ok 14 # gradients
@@ -6561,39 +6594,39 @@
bond ( 6.549, -6.489, -5.236) ( 6.550, -6.488, -5.235) ( 0.02, 0.02, 0.02)
angle (-15.891, -11.333, -5.837) (-15.890, -11.333, -5.837) ( 0.00, 0.00, 0.01)
strbnd ( -1.046, 0.503, 0.436) ( -1.046, 0.503, 0.436) ( 0.00, 0.00, 0.00)
- torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.839, 1.264, 1.139) ( 0.839, 1.264, 1.139) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
20 ( -6.872, -6.628, -8.449) ( -6.870, -6.627, -8.448) ( 0.02, 0.01, 0.02)
bond ( -7.287, 3.445, -8.054) ( -7.286, 3.445, -8.052) ( 0.02, 0.01, 0.02)
angle ( -1.156, -10.327, -3.372) ( -1.156, -10.326, -3.372) ( 0.02, 0.01, 0.01)
strbnd ( 1.415, -1.060, 1.430) ( 1.415, -1.060, 1.430) ( 0.00, 0.00, 0.00)
- torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ torsion ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.156, 1.313, 1.547) ( 0.156, 1.313, 1.547) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
21 ( -5.154, -11.419, -3.897) ( -5.153, -11.418, -3.895) ( 0.02, 0.01, 0.04)
bond ( -5.951, -7.142, 6.246) ( -5.950, -7.141, 6.247) ( 0.02, 0.02, 0.02)
angle ( -0.744, -6.990, -8.698) ( -0.743, -6.990, -8.698) ( 0.02, 0.00, 0.01)
strbnd ( 1.377, 1.441, -1.809) ( 1.377, 1.441, -1.809) ( 0.00, 0.00, 0.00)
torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.163, 1.273, 0.365) ( 0.163, 1.273, 0.365) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
22 ( 6.707, 14.950, -4.095) ( 6.709, 14.951, -4.094) ( 0.04, 0.00, 0.03)
bond ( 10.180, 0.038, -5.182) ( 10.183, 0.038, -5.181) ( 0.02, 0.00, 0.01)
angle ( -0.643, 16.864, -1.139) ( -0.642, 16.864, -1.139) ( 0.01, 0.00, 0.03)
strbnd ( -2.565, 0.430, 1.327) ( -2.565, 0.430, 1.327) ( 0.00, 0.00, 0.00)
torsion ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.266, -2.382, 0.899) ( -0.266, -2.382, 0.899) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
23 ( 7.712, 7.044, 4.929) ( 7.712, 7.045, 4.931) ( 0.01, 0.01, 0.05)
bond ( 2.115, 4.636, 9.930) ( 2.115, 4.637, 9.932) ( 0.01, 0.01, 0.02)
angle ( 6.274, 3.725, -3.075) ( 6.274, 3.725, -3.075) ( 0.01, 0.01, 0.00)
strbnd ( -0.199, -0.342, -1.642) ( -0.199, -0.342, -1.642) ( 0.00, 0.00, 0.00)
- torsion ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ torsion ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.477, -0.975, -0.284) ( -0.477, -0.975, -0.284) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
@@ -6601,10 +6634,10 @@
bond ( -5.076, 7.231, -5.839) ( -5.075, 7.232, -5.838) ( 0.01, 0.02, 0.02)
angle ( 15.920, 8.574, -3.218) ( 15.920, 8.575, -3.218) ( 0.00, 0.00, 0.01)
strbnd ( 0.876, -0.556, 0.755) ( 0.876, -0.556, 0.755) ( 0.00, 0.00, 0.00)
- torsion ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ torsion ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.922, -1.422, 0.511) ( -0.922, -1.422, 0.511) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
ok 16 # gradients
ok 17 # energy
----------------------------------------------------------------------------------------
@@ -7230,7 +7263,7 @@
torsion ( 0.000, 0.000, -0.009) ( 0.000, 0.000, -0.009) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.791, -1.108, -0.087) ( -3.791, -1.108, -0.087) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
17 ( 3.734, 1.697, 3.317) ( 3.735, 1.697, 3.320) ( 0.03, 0.05, 0.08)
bond ( -0.653, 0.424, 1.150) ( -0.653, 0.424, 1.152) ( 0.05, 0.01, 0.21)
angle ( 4.116, 2.173, 1.530) ( 4.116, 2.174, 1.530) ( 0.01, 0.02, 0.01)
@@ -7238,21 +7271,21 @@
torsion ( 0.003, -0.008, 0.004) ( 0.003, -0.008, 0.004) ( 0.00, 0.00, 0.00)
oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.916, -1.492, 0.852) ( -1.916, -1.492, 0.852) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
18 ( 3.357, 1.877, -3.735) ( 3.358, 1.877, -3.733) ( 0.04, 0.05, 0.07)
bond ( -0.951, 0.766, -1.640) ( -0.950, 0.766, -1.638) ( 0.07, 0.04, 0.14)
angle ( 4.217, 2.283, -1.378) ( 4.217, 2.284, -1.377) ( 0.01, 0.02, 0.01)
strbnd ( 2.195, 0.574, 0.319) ( 2.195, 0.574, 0.319) ( 0.00, 0.00, 0.00)
torsion ( -0.003, 0.007, 0.005) ( -0.003, 0.007, 0.005) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.102, -1.754, -1.042) ( -2.101, -1.754, -1.042) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
19 ( -0.948, 1.749, -2.994) ( -0.947, 1.750, -2.991) ( 0.08, 0.04, 0.10)
bond ( 0.687, 0.547, -1.969) ( 0.688, 0.547, -1.967) ( 0.02, 0.01, 0.15)
angle ( -2.117, 0.190, -0.687) ( -2.116, 0.190, -0.687) ( 0.02, 0.01, 0.01)
strbnd ( -1.351, -0.031, 0.069) ( -1.351, -0.031, 0.069) ( 0.00, 0.00, 0.00)
torsion ( -0.009, 1.344, 0.371) ( -0.009, 1.344, 0.371) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.840, -0.300, -0.777) ( 1.840, -0.300, -0.777) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
20 ( 3.214, -1.427, 1.320) ( 3.215, -1.424, 1.320) ( 0.03, 0.21, 0.05)
@@ -7262,15 +7295,15 @@
torsion ( -0.001, -0.023, -0.087) ( -0.001, -0.023, -0.087) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 6.765, 1.580, 0.691) ( 6.765, 1.580, 0.691) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
21 ( 1.311, 2.298, 1.796) ( 1.312, 2.300, 1.798) ( 0.07, 0.08, 0.10)
bond ( 0.773, 1.536, 1.536) ( 0.773, 1.538, 1.538) ( 0.03, 0.10, 0.10)
angle ( -2.380, 0.642, 0.554) ( -2.380, 0.642, 0.554) ( 0.02, 0.02, 0.01)
strbnd ( -1.349, -0.045, -0.017) ( -1.349, -0.045, -0.017) ( 0.00, 0.00, 0.00)
torsion ( -0.034, 1.670, -1.653) ( -0.034, 1.670, -1.653) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 4.301, -1.506, 1.375) ( 4.301, -1.506, 1.375) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
22 ( -2.919, 0.875, 1.448) ( -2.916, 0.876, 1.450) ( 0.08, 0.06, 0.11)
bond ( -1.870, -0.110, 1.417) ( -1.868, -0.110, 1.418) ( 0.12, 0.00, 0.09)
angle ( 0.520, -2.593, 0.484) ( 0.520, -2.593, 0.484) ( 0.01, 0.02, 0.01)
@@ -7278,7 +7311,7 @@
torsion ( -1.476, -0.834, -2.010) ( -1.476, -0.834, -2.010) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.746, 5.617, 1.547) ( -0.746, 5.617, 1.547) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
23 ( -2.177, 4.626, 0.844) ( -2.175, 4.628, 0.845) ( 0.08, 0.05, 0.06)
bond ( 1.483, 1.776, 0.765) ( 1.485, 1.778, 0.766) ( 0.09, 0.10, 0.03)
angle ( 2.624, -2.307, 0.268) ( 2.625, -2.307, 0.268) ( 0.01, 0.01, 0.01)
@@ -7286,15 +7319,15 @@
torsion ( 0.519, 0.264, -1.620) ( 0.519, 0.264, -1.620) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -7.437, 6.134, 1.436) ( -7.437, 6.134, 1.436) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
24 ( -0.385, -1.508, -3.050) ( -0.385, -1.508, -3.047) ( 0.03, 0.04, 0.10)
bond ( -0.615, 0.404, -1.895) ( -0.615, 0.404, -1.892) ( 0.02, 0.01, 0.16)
angle ( 0.873, -1.806, -0.669) ( 0.873, -1.806, -0.669) ( 0.04, 0.03, 0.01)
strbnd ( 0.665, -1.206, 0.041) ( 0.665, -1.206, 0.041) ( 0.00, 0.00, 0.00)
torsion ( -0.796, -0.434, 0.166) ( -0.796, -0.434, 0.166) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.512, 1.534, -0.692) ( -0.512, 1.534, -0.692) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
ok 20 # gradients
ok 21 # energy
----------------------------------------------------------------------------------------
@@ -7319,13 +7352,13 @@
torsion ( 4.294, 0.736, -3.479) ( 4.294, 0.736, -3.478) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -7.601, 1.652, -5.836) ( -7.601, 1.652, -5.836) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
3 ( 0.562, 0.076, -0.092) ( 0.566, 0.081, -0.087) ( 0.27, 0.04, 0.05)
bond ( 6.097, -9.677, 17.390) ( 6.101, -9.673, 17.394) ( 0.06, 0.04, 0.02)
angle ( -1.378, 4.252, -13.110) ( -1.376, 4.254, -13.108) ( 0.15, 0.05, 0.02)
strbnd ( 0.257, 0.181, -0.552) ( 0.256, 0.180, -0.552) ( 0.03, 0.01, 0.03)
torsion ( -0.355, 2.764, 0.802) ( -0.355, 2.764, 0.802) ( 0.00, 0.00, 0.01)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -4.059, 2.557, -4.623) ( -4.059, 2.557, -4.623) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
4 ( 1.701, 0.453, 0.308) ( 1.706, 0.472, 0.382) ( 0.30, 0.89, 2.27)
@@ -7375,7 +7408,7 @@
torsion ( 0.192, 1.536, 1.287) ( 0.192, 1.536, 1.287) ( 0.00, 0.00, 0.01)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 4.897, -3.334, 3.446) ( 4.897, -3.334, 3.447) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
10 ( 0.279, 0.320, 0.215) ( 0.284, 0.326, 0.221) ( 0.13, 0.18, 0.13)
bond ( 3.926, 16.947, -8.842) ( 3.929, 16.951, -8.838) ( 0.09, 0.02, 0.05)
angle ( -6.642, -8.727, 8.491) ( -6.640, -8.725, 8.493) ( 0.03, 0.02, 0.02)
@@ -7383,15 +7416,15 @@
torsion ( -1.013, -0.173, -1.195) ( -1.013, -0.173, -1.195) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 5.922, -2.802, -1.070) ( 5.922, -2.802, -1.070) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
11 ( 0.045, 0.535, 0.496) ( 0.051, 0.539, 0.502) ( 0.03, 0.24, 0.29)
bond (-22.008, -2.471, -8.891) (-22.004, -2.468, -8.886) ( 0.02, 0.14, 0.05)
angle ( 15.128, 5.024, 5.636) ( 15.130, 5.026, 5.638) ( 0.01, 0.04, 0.03)
strbnd ( 6.334, 1.549, 3.089) ( 6.333, 1.548, 3.089) ( 0.01, 0.06, 0.02)
torsion ( -1.616, 1.448, 1.166) ( -1.616, 1.448, 1.166) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.209, -5.015, -0.504) ( 2.209, -5.015, -0.504) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
12 ( 0.018, -0.028, -0.133) ( 0.022, -0.023, -0.128) ( 0.01, 0.01, 0.07)
bond (-12.958, 14.537, 15.529) (-12.956, 14.540, 15.533) ( 0.02, 0.02, 0.03)
angle ( 5.486, -21.711, -16.528) ( 5.488, -21.709, -16.526) ( 0.04, 0.01, 0.01)
@@ -7399,13 +7432,13 @@
torsion ( 0.521, -0.105, -0.116) ( 0.521, -0.105, -0.116) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.814, -1.090, 2.040) ( 2.814, -1.090, 2.040) ( 0.00, 0.01, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
13 ( -0.345, -0.098, -0.425) ( -0.340, -0.093, -0.420) ( 0.16, 0.05, 0.21)
bond ( 19.196, -25.927, -5.472) ( 19.199, -25.923, -5.468) ( 0.02, 0.01, 0.07)
angle (-20.973, 31.110, 6.384) (-20.971, 31.112, 6.386) ( 0.01, 0.01, 0.03)
strbnd ( -1.801, -4.659, 1.967) ( -1.802, -4.660, 1.966) ( 0.04, 0.02, 0.03)
torsion ( 2.190, -1.303, -1.287) ( 2.190, -1.303, -1.287) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.043, 0.681, -2.017) ( 1.043, 0.681, -2.017) ( 0.01, 0.00, 0.00)
electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
14 ( -0.307, -0.668, -1.189) ( -0.302, -0.663, -1.183) ( 0.14, 0.32, 0.49)
@@ -7415,7 +7448,7 @@
torsion ( -0.738, 1.381, 1.027) ( -0.738, 1.381, 1.027) ( 0.00, 0.00, 0.01)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.849, 2.766, 1.934) ( 0.849, 2.766, 1.934) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
15 ( -0.779, -0.703, -0.742) ( -0.774, -0.698, -0.735) ( 0.36, 0.34, 0.45)
bond ( 11.046, -27.491, 7.813) ( 11.049, -27.488, 7.817) ( 0.03, 0.01, 0.06)
angle (-13.695, 29.364, -9.854) (-13.693, 29.366, -9.852) ( 0.01, 0.01, 0.02)
@@ -7423,7 +7456,7 @@
torsion ( 0.502, -0.879, -1.143) ( 0.502, -0.879, -1.143) ( 0.00, 0.00, 0.01)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.527, -3.606, 3.470) ( 2.528, -3.606, 3.470) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
16 ( -1.065, -0.614, 1.036) ( -1.061, -0.609, 1.042) ( 0.45, 0.30, 0.57)
bond ( -9.763, 20.766, -9.836) ( -9.759, 20.769, -9.832) ( 0.04, 0.02, 0.05)
angle ( 9.857, -21.778, 9.882) ( 9.859, -21.776, 9.884) ( 0.02, 0.01, 0.02)
@@ -7431,7 +7464,7 @@
torsion ( -0.978, 0.700, 0.353) ( -0.978, 0.700, 0.353) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.539, -0.634, -0.360) ( -0.539, -0.634, -0.360) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
17 ( -1.087, -1.069, 0.177) ( -1.083, -1.064, 0.183) ( 0.43, 0.46, 0.10)
bond ( -1.901, -13.454, 13.464) ( -1.897, -13.450, 13.468) ( 0.18, 0.03, 0.03)
angle ( 1.193, 9.826, -16.679) ( 1.195, 9.828, -16.677) ( 0.18, 0.02, 0.01)
@@ -7447,7 +7480,7 @@
torsion ( -0.534, -0.161, -0.695) ( -0.534, -0.161, -0.695) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.214, 5.005, -1.050) ( -1.214, 5.005, -1.050) ( 0.01, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
19 ( -0.892, -1.390, -0.413) ( -0.887, -1.384, -0.407) ( 0.44, 0.43, 0.23)
bond (-14.431, 0.239, -5.354) (-14.427, 0.243, -5.350) ( 0.03, 0.11, 0.08)
angle ( 5.190, -0.465, 6.381) ( 5.192, -0.463, 6.382) ( 0.04, 0.09, 0.03)
@@ -7455,7 +7488,7 @@
torsion ( 0.871, -0.786, -1.907) ( 0.871, -0.786, -1.907) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 5.131, 0.367, -0.974) ( 5.131, 0.367, -0.974) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
20 ( -1.255, 0.127, -0.110) ( -1.249, 0.133, -0.106) ( 0.48, 0.08, 0.05)
bond ( 4.252, -7.565, 15.329) ( 4.256, -7.560, 15.333) ( 0.11, 0.06, 0.03)
angle ( 1.408, 3.130, -7.552) ( 1.409, 3.132, -7.550) ( 0.13, 0.06, 0.03)
@@ -7463,7 +7496,7 @@
torsion ( -2.747, 1.008, 0.725) ( -2.747, 1.008, 0.725) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -4.560, 3.029, -4.380) ( -4.560, 3.029, -4.380) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
21 ( 0.264, 0.125, -0.017) ( 0.269, 0.129, -0.012) ( 0.13, 0.06, 0.01)
bond ( 20.008, -3.510, -2.218) ( 20.012, -3.507, -2.215) ( 0.02, 0.09, 0.15)
angle (-15.231, -7.030, 0.649) (-15.229, -7.028, 0.651) ( 0.01, 0.03, 0.15)
@@ -7485,23 +7518,23 @@
angle ( 10.251, 5.425, -14.704) ( 10.253, 5.427, -14.702) ( 0.02, 0.04, 0.01)
strbnd ( 4.541, -0.227, 0.888) ( 4.540, -0.227, 0.888) ( 0.02, 0.01, 0.06)
torsion ( -1.610, 3.720, 3.452) ( -1.610, 3.720, 3.452) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.819, 5.346, -4.109) ( -3.819, 5.346, -4.109) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
24 ( 0.357, 0.362, 0.364) ( 0.362, 0.367, 0.370) ( 0.18, 0.17, 0.22)
bond ( 21.264, -13.824, -2.826) ( 21.268, -13.820, -2.821) ( 0.02, 0.03, 0.16)
angle (-16.268, 12.918, 11.920) (-16.266, 12.920, 11.922) ( 0.01, 0.02, 0.01)
strbnd ( -2.042, -2.702, 2.306) ( -2.043, -2.703, 2.305) ( 0.04, 0.04, 0.01)
torsion ( 0.242, -0.309, -3.665) ( 0.242, -0.309, -3.665) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.840, 4.280, -7.371) ( -2.839, 4.280, -7.371) ( 0.01, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
25 ( 0.298, 0.643, 0.076) ( 0.302, 0.648, 0.081) ( 0.13, 0.32, 0.04)
bond (-17.007, -1.605, 19.177) (-17.004, -1.602, 19.181) ( 0.02, 0.21, 0.02)
angle ( 20.289, -11.578, -20.050) ( 20.291, -11.576, -20.048) ( 0.01, 0.02, 0.01)
strbnd ( 0.219, 4.268, -0.478) ( 0.218, 4.267, -0.478) ( 0.02, 0.02, 0.02)
torsion ( -1.834, 2.984, 4.550) ( -1.834, 2.984, 4.550) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.369, 6.574, -3.124) ( -1.369, 6.574, -3.124) ( 0.01, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
26 ( 1.237, -0.464, 0.129) ( 1.240, -0.447, 0.209) ( 0.28, 0.80, 1.04)
@@ -7525,7 +7558,7 @@
angle ( -2.167, 1.247, 4.426) ( -2.166, 1.247, 4.428) ( 0.01, 0.03, 0.03)
strbnd ( 0.310, 0.219, 0.140) ( 0.310, 0.219, 0.140) ( 0.00, 0.00, 0.01)
torsion ( 0.871, -2.454, -0.635) ( 0.871, -2.454, -0.635) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.614, -2.920, -1.379) ( -3.614, -2.920, -1.379) ( 0.00, 0.00, 0.00)
electro ( -2.324, -0.193, -0.270) ( -2.323, -0.193, -0.270) ( 0.00, 0.00, 0.00)
29 ( 0.408, 0.492, 0.031) ( 0.409, 0.493, 0.034) ( 0.03, 0.06, 0.01)
@@ -7535,7 +7568,7 @@
torsion ( 1.322, -0.173, 0.334) ( 1.322, -0.173, 0.334) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.277, 1.563, -4.719) ( 1.277, 1.563, -4.719) ( 0.01, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
30 ( 0.503, 0.033, 0.106) ( 0.504, 0.034, 0.109) ( 0.04, 0.00, 0.03)
bond ( 0.388, -0.566, -1.877) ( 0.388, -0.566, -1.874) ( 0.01, 0.02, 0.16)
angle ( -1.222, 1.435, -0.686) ( -1.222, 1.436, -0.686) ( 0.05, 0.04, 0.00)
@@ -7543,7 +7576,7 @@
torsion ( -1.037, 0.246, -0.289) ( -1.037, 0.246, -0.289) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.936, -1.598, 1.950) ( 2.936, -1.598, 1.950) ( 0.00, 0.01, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
31 ( 0.438, 0.182, 0.134) ( 0.439, 0.183, 0.137) ( 0.04, 0.02, 0.04)
bond ( -1.114, 1.979, 6.032) ( -1.114, 1.980, 6.035) ( 0.01, 0.02, 0.05)
angle ( -0.690, 1.900, -0.751) ( -0.689, 1.901, -0.751) ( 0.04, 0.03, 0.01)
@@ -7551,7 +7584,7 @@
torsion ( 0.783, 1.067, -0.206) ( 0.783, 1.067, -0.206) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.437, -4.688, -2.903) ( 1.437, -4.687, -2.903) ( 0.01, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
32 ( 1.763, 0.235, -0.010) ( 1.764, 0.236, -0.007) ( 0.05, 0.03, 0.00)
bond ( -0.495, 1.091, 2.241) ( -0.495, 1.092, 2.244) ( 0.01, 0.06, 0.12)
angle ( -0.145, 0.135, -0.098) ( -0.144, 0.135, -0.098) ( 0.01, 0.01, 0.00)
@@ -7567,7 +7600,7 @@
torsion ( -2.226, 0.124, 1.967) ( -2.226, 0.125, 1.967) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.223, 1.107, -0.518) ( -1.223, 1.107, -0.518) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
34 ( 0.623, -0.025, -0.099) ( 0.624, -0.024, -0.096) ( 0.07, 0.00, 0.02)
bond ( 1.205, -1.083, -2.206) ( 1.205, -1.082, -2.204) ( 0.05, 0.05, 0.10)
angle ( 4.429, -0.679, 2.755) ( 4.430, -0.679, 2.755) ( 0.01, 0.03, 0.01)
@@ -7575,7 +7608,7 @@
torsion ( -1.189, -0.747, -0.284) ( -1.189, -0.747, -0.284) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.797, 1.923, -1.593) ( -3.797, 1.923, -1.593) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
35 ( 0.727, 0.236, 0.113) ( 0.728, 0.237, 0.115) ( 0.07, 0.02, 0.03)
bond ( -1.135, 1.111, 3.160) ( -1.134, 1.111, 3.163) ( 0.03, 0.03, 0.08)
angle ( 2.191, 0.137, 0.737) ( 2.191, 0.138, 0.737) ( 0.03, 0.01, 0.01)
@@ -7583,7 +7616,7 @@
torsion ( 0.059, -1.190, 0.439) ( 0.059, -1.190, 0.439) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.416, 1.359, -3.581) ( -1.416, 1.359, -3.581) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
36 ( 0.488, 0.270, -0.116) ( 0.489, 0.274, -0.116) ( 0.04, 0.09, 0.01)
bond ( 0.456, -2.299, 0.220) ( 0.456, -2.296, 0.220) ( 0.01, 0.14, 0.00)
angle ( 2.467, 0.624, 1.393) ( 2.468, 0.624, 1.393) ( 0.02, 0.00, 0.04)
@@ -7591,7 +7624,7 @@
torsion ( 0.177, -0.003, -0.400) ( 0.177, -0.003, -0.399) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.636, 0.622, -2.274) ( -2.636, 0.622, -2.274) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
37 ( 0.151, 1.287, 0.431) ( 0.152, 1.288, 0.434) ( 0.02, 0.05, 0.13)
bond ( 1.073, -0.388, -2.975) ( 1.074, -0.388, -2.972) ( 0.04, 0.00, 0.10)
angle ( -0.794, 2.840, -0.658) ( -0.793, 2.841, -0.658) ( 0.04, 0.02, 0.00)
@@ -7599,15 +7632,15 @@
torsion ( -1.057, -0.640, -0.298) ( -1.057, -0.640, -0.298) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.212, -1.506, 2.709) ( 1.212, -1.506, 2.709) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
38 ( 0.339, 0.476, 1.257) ( 0.340, 0.479, 1.258) ( 0.03, 0.15, 0.04)
bond ( -0.805, 4.071, 0.318) ( -0.805, 4.074, 0.318) ( 0.01, 0.08, 0.00)
angle ( 5.353, 1.181, -1.582) ( 5.354, 1.181, -1.581) ( 0.01, 0.00, 0.03)
strbnd ( 0.930, -1.391, -0.658) ( 0.930, -1.391, -0.658) ( 0.00, 0.00, 0.00)
torsion ( -1.899, -0.571, 2.506) ( -1.899, -0.571, 2.506) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.240, -2.814, 0.673) ( -3.240, -2.814, 0.673) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
39 ( 0.197, 1.934, -0.224) ( 0.197, 1.941, -0.201) ( 0.01, 0.38, 0.52)
bond ( -0.322, 6.022, -1.065) ( -0.322, 6.026, -1.065) ( 0.00, 0.06, 0.01)
angle ( -3.546, -0.243, -0.303) ( -3.546, -0.243, -0.303) ( 0.02, 0.00, 0.00)
@@ -7621,9 +7654,9 @@
angle ( 0.476, 0.291, -0.208) ( 0.477, 0.292, -0.208) ( 0.02, 0.02, 0.00)
strbnd ( 0.323, 0.150, 1.507) ( 0.323, 0.150, 1.507) ( 0.00, 0.00, 0.00)
torsion ( 0.949, 0.716, -0.364) ( 0.949, 0.716, -0.364) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.355, -1.875, 0.672) ( 0.355, -1.875, 0.672) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
41 ( 0.302, 0.253, -0.644) ( 0.303, 0.254, -0.641) ( 0.04, 0.02, 0.15)
bond ( -1.052, 0.652, 1.694) ( -1.051, 0.653, 1.696) ( 0.08, 0.02, 0.13)
angle ( 1.336, 3.153, -0.385) ( 1.337, 3.153, -0.384) ( 0.03, 0.02, 0.01)
@@ -7631,7 +7664,7 @@
torsion ( -0.348, -0.299, -0.101) ( -0.348, -0.299, -0.101) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.164, -3.428, -0.491) ( 0.164, -3.428, -0.491) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
42 ( 0.242, -0.051, 0.087) ( 0.243, -0.051, 0.090) ( 0.02, 0.00, 0.03)
bond ( 0.344, 0.091, -1.789) ( 0.344, 0.091, -1.786) ( 0.00, 0.00, 0.18)
angle ( -2.274, 1.718, -0.351) ( -2.274, 1.718, -0.351) ( 0.02, 0.03, 0.00)
@@ -7639,7 +7672,7 @@
torsion ( 0.347, 0.529, 0.094) ( 0.347, 0.529, 0.094) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.770, -3.355, 1.666) ( 1.770, -3.355, 1.666) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
43 ( 0.647, 0.422, -0.099) ( 0.648, 0.424, -0.099) ( 0.07, 0.12, 0.01)
bond ( -0.598, 1.361, 0.419) ( -0.597, 1.363, 0.420) ( 0.03, 0.19, 0.01)
angle ( 0.254, 1.061, -3.086) ( 0.255, 1.061, -3.085) ( 0.01, 0.01, 0.02)
@@ -7647,7 +7680,7 @@
torsion ( -0.431, -0.894, 2.291) ( -0.431, -0.894, 2.291) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.837, -1.379, 1.046) ( 0.837, -1.379, 1.046) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
44 ( -0.948, 0.980, 0.797) ( -0.947, 0.982, 0.799) ( 0.08, 0.11, 0.21)
bond ( -0.079, -0.094, -0.209) ( -0.078, -0.094, -0.207) ( 0.00, 0.00, 0.05)
angle ( -1.561, 3.754, -1.115) ( -1.561, 3.755, -1.115) ( 0.03, 0.01, 0.01)
@@ -7655,23 +7688,23 @@
torsion ( 0.309, -1.025, 0.349) ( 0.309, -1.025, 0.349) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.408, -1.954, 1.389) ( 1.408, -1.954, 1.389) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
45 ( 0.684, 0.907, 1.369) ( 0.687, 0.908, 1.370) ( 0.16, 0.08, 0.09)
bond ( -1.901, 0.820, 1.194) ( -1.899, 0.820, 1.195) ( 0.11, 0.03, 0.07)
angle ( -0.217, -0.147, -0.244) ( -0.216, -0.146, -0.243) ( 0.00, 0.01, 0.01)
strbnd ( -0.303, -0.559, -1.117) ( -0.303, -0.559, -1.117) ( 0.00, 0.00, 0.00)
torsion ( 1.043, 1.144, 0.873) ( 1.043, 1.144, 0.873) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.062, -0.352, 0.663) ( 2.062, -0.352, 0.663) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
46 ( 0.367, -0.348, 0.007) ( 0.368, -0.346, 0.010) ( 0.03, 0.04, 0.00)
bond ( -0.743, 1.942, 5.648) ( -0.743, 1.943, 5.651) ( 0.01, 0.02, 0.05)
angle ( -0.834, 2.429, -0.945) ( -0.833, 2.430, -0.945) ( 0.05, 0.03, 0.01)
strbnd ( -0.401, -0.284, -2.968) ( -0.401, -0.284, -2.968) ( 0.00, 0.00, 0.00)
torsion ( -0.439, -1.217, 0.361) ( -0.439, -1.217, 0.361) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.784, -3.218, -2.089) ( 2.784, -3.218, -2.089) ( 0.00, 0.01, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
47 ( 0.015, -0.265, 0.203) ( 0.016, -0.264, 0.204) ( 0.00, 0.04, 0.03)
bond ( 0.405, -0.387, -0.424) ( 0.406, -0.386, -0.423) ( 0.05, 0.04, 0.05)
angle ( -2.172, -2.780, 0.450) ( -2.171, -2.779, 0.451) ( 0.02, 0.01, 0.02)
@@ -7679,15 +7712,15 @@
torsion ( -0.276, -0.075, -0.196) ( -0.276, -0.075, -0.196) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.791, 2.933, -1.421) ( 2.791, 2.933, -1.421) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
48 ( -0.723, -0.153, -2.370) ( -0.721, -0.151, -2.369) ( 0.12, 0.03, 0.05)
bond ( -0.977, 1.037, 0.786) ( -0.976, 1.038, 0.787) ( 0.12, 0.13, 0.06)
angle ( -0.242, 0.074, -0.397) ( -0.241, 0.074, -0.397) ( 0.01, 0.00, 0.01)
strbnd ( 0.015, -0.149, -2.101) ( 0.015, -0.149, -2.101) ( 0.00, 0.00, 0.00)
torsion ( -0.303, 0.391, -0.890) ( -0.303, 0.391, -0.890) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.783, -1.505, 0.233) ( 0.783, -1.505, 0.233) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
49 ( 0.608, -1.419, -1.523) ( 0.609, -1.418, -1.520) ( 0.04, 0.06, 0.21)
bond ( -0.234, 0.800, -3.501) ( -0.234, 0.800, -3.498) ( 0.00, 0.01, 0.09)
angle ( -0.364, -2.283, -0.498) ( -0.363, -2.283, -0.498) ( 0.02, 0.02, 0.00)
@@ -7695,7 +7728,7 @@
torsion ( 1.209, -1.267, -0.371) ( 1.209, -1.267, -0.371) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.305, 0.529, 0.922) ( 1.305, 0.529, 0.922) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
50 ( -1.926, -0.688, -1.325) ( -1.925, -0.687, -1.323) ( 0.05, 0.11, 0.15)
bond ( 1.132, -1.684, -2.127) ( 1.132, -1.683, -2.125) ( 0.04, 0.07, 0.08)
angle ( -0.386, 0.713, -0.771) ( -0.386, 0.714, -0.771) ( 0.02, 0.03, 0.02)
@@ -7703,7 +7736,7 @@
torsion ( -0.839, 0.814, -1.092) ( -0.839, 0.814, -1.092) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.600, -0.054, 0.749) ( -1.600, -0.054, 0.749) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
51 ( 0.141, -0.997, -1.237) ( 0.142, -0.996, -1.234) ( 0.01, 0.10, 0.23)
bond ( -0.459, 0.602, -1.366) ( -0.459, 0.603, -1.364) ( 0.01, 0.03, 0.19)
angle ( -4.840, -2.593, 0.483) ( -4.839, -2.592, 0.483) ( 0.01, 0.02, 0.01)
@@ -7711,7 +7744,7 @@
torsion ( 0.609, -0.569, -0.456) ( 0.609, -0.569, -0.456) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 4.897, 2.477, 1.772) ( 4.897, 2.477, 1.772) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
52 ( -2.339, 0.741, 1.932) ( -2.338, 0.742, 1.935) ( 0.04, 0.05, 0.15)
bond ( -0.579, 0.431, -1.609) ( -0.579, 0.431, -1.606) ( 0.02, 0.01, 0.17)
angle ( -0.609, 2.084, 0.779) ( -0.609, 2.085, 0.779) ( 0.03, 0.02, 0.01)
@@ -7719,7 +7752,7 @@
torsion ( -0.384, -0.338, 0.048) ( -0.384, -0.338, 0.048) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.864, -2.295, 1.315) ( -0.864, -2.295, 1.315) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
53 ( 0.056, -1.491, 2.539) ( 0.057, -1.489, 2.541) ( 0.01, 0.13, 0.06)
bond ( -1.594, 2.825, 2.595) ( -1.593, 2.827, 2.597) ( 0.03, 0.05, 0.05)
angle ( -1.514, -2.295, 1.569) ( -1.514, -2.295, 1.569) ( 0.03, 0.01, 0.02)
@@ -7727,7 +7760,7 @@
torsion ( 1.240, -0.042, 0.806) ( 1.240, -0.042, 0.806) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 1.431, -1.377, -0.123) ( 1.431, -1.377, -0.123) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
54 ( -1.751, -1.353, 0.152) ( -1.750, -1.352, 0.155) ( 0.04, 0.06, 0.05)
bond ( -0.353, 0.090, 4.018) ( -0.353, 0.090, 4.021) ( 0.00, 0.00, 0.08)
angle ( -0.173, -0.584, -0.002) ( -0.173, -0.583, -0.002) ( 0.01, 0.04, 0.00)
@@ -7743,31 +7776,31 @@
torsion ( 0.064, 0.110, -0.250) ( 0.064, 0.110, -0.250) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.132, 4.501, -0.381) ( -0.132, 4.502, -0.381) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
56 ( -1.939, -2.205, 0.809) ( -1.938, -2.204, 0.812) ( 0.03, 0.03, 0.27)
bond ( -0.033, -0.223, -1.036) ( -0.033, -0.223, -1.033) ( 0.00, 0.00, 0.31)
angle ( 0.267, -3.200, 0.682) ( 0.267, -3.200, 0.682) ( 0.01, 0.02, 0.00)
strbnd ( 0.445, -0.392, 0.323) ( 0.445, -0.392, 0.323) ( 0.00, 0.00, 0.00)
torsion ( -0.267, -0.189, 0.049) ( -0.267, -0.189, 0.049) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.350, 1.799, 0.791) ( -2.350, 1.799, 0.791) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
57 ( -0.222, -0.711, 1.702) ( -0.221, -0.708, 1.703) ( 0.02, 0.16, 0.07)
bond ( -1.423, -3.015, 1.849) ( -1.423, -3.013, 1.849) ( 0.03, 0.07, 0.04)
angle ( 1.191, -0.586, -0.038) ( 1.192, -0.586, -0.038) ( 0.04, 0.01, 0.00)
strbnd ( 0.927, 0.636, -0.840) ( 0.927, 0.636, -0.840) ( 0.00, 0.00, 0.00)
torsion ( 0.670, 0.208, 0.854) ( 0.670, 0.208, 0.854) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.587, 2.046, -0.123) ( -1.587, 2.046, -0.123) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
58 ( -1.065, -1.279, -1.213) ( -1.063, -1.277, -1.212) ( 0.14, 0.19, 0.05)
bond ( -0.341, 0.461, 0.108) ( -0.340, 0.463, 0.108) ( 0.04, 0.10, 0.00)
angle ( -2.386, -1.529, -0.965) ( -2.386, -1.529, -0.964) ( 0.01, 0.01, 0.04)
strbnd ( -0.455, -0.647, -0.480) ( -0.455, -0.647, -0.480) ( 0.00, 0.00, 0.00)
torsion ( 0.014, 0.020, -0.041) ( 0.014, 0.020, -0.041) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.104, 0.416, 0.164) ( 2.104, 0.416, 0.164) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
59 ( -1.070, -1.140, -0.343) ( -1.069, -1.138, -0.342) ( 0.10, 0.20, 0.03)
bond ( -1.369, -2.487, 1.248) ( -1.368, -2.484, 1.248) ( 0.05, 0.09, 0.04)
angle ( -1.624, 0.072, -1.636) ( -1.623, 0.072, -1.636) ( 0.03, 0.00, 0.03)
@@ -7775,7 +7808,7 @@
torsion ( -0.290, 0.448, 0.574) ( -0.290, 0.448, 0.574) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.584, 0.022, 0.237) ( 2.584, 0.022, 0.237) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
60 ( -0.358, -1.910, -0.423) ( -0.357, -1.909, -0.420) ( 0.02, 0.03, 0.14)
bond ( 0.061, -0.358, -2.470) ( 0.061, -0.358, -2.467) ( 0.00, 0.00, 0.13)
angle ( -2.334, -1.222, 0.119) ( -2.334, -1.222, 0.119) ( 0.02, 0.04, 0.00)
@@ -7783,7 +7816,7 @@
torsion ( 0.016, -0.218, 0.032) ( 0.016, -0.218, 0.032) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.778, -0.179, 1.331) ( 2.778, -0.179, 1.331) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
61 ( -1.170, -0.189, 0.037) ( -1.168, -0.188, 0.038) ( 0.25, 0.01, 0.00)
bond ( -0.428, -0.103, -0.175) ( -0.426, -0.103, -0.175) ( 0.12, 0.00, 0.01)
angle ( -0.331, -3.245, 2.709) ( -0.331, -3.244, 2.710) ( 0.00, 0.01, 0.02)
@@ -7791,7 +7824,7 @@
torsion ( -0.146, 0.349, 0.151) ( -0.146, 0.349, 0.152) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.626, 3.464, -3.153) ( 0.626, 3.464, -3.153) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
62 ( -1.757, 0.318, 0.260) ( -1.756, 0.322, 0.261) ( 0.03, 0.11, 0.02)
bond ( 0.021, 0.242, -0.008) ( 0.021, 0.246, -0.008) ( 0.00, 0.08, 0.00)
angle ( 2.576, -0.098, 3.676) ( 2.576, -0.098, 3.677) ( 0.02, 0.00, 0.01)
@@ -7799,7 +7832,7 @@
torsion ( 1.156, -0.106, -0.183) ( 1.156, -0.106, -0.183) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -5.770, -0.362, -4.129) ( -5.770, -0.362, -4.129) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
63 ( -1.163, 0.855, -0.571) ( -1.161, 0.856, -0.570) ( 0.16, 0.08, 0.09)
bond ( -1.786, 1.024, 1.583) ( -1.785, 1.024, 1.584) ( 0.09, 0.05, 0.08)
angle ( 0.428, -0.094, 0.542) ( 0.428, -0.094, 0.543) ( 0.01, 0.00, 0.02)
@@ -7807,21 +7840,21 @@
torsion ( -0.227, -0.276, -0.077) ( -0.227, -0.276, -0.077) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.250, 0.874, -3.065) ( -0.250, 0.874, -3.065) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
64 ( 0.790, -0.989, 0.790) ( 0.793, -0.989, 0.791) ( 0.25, 0.06, 0.06)
bond ( 0.666, 0.107, -0.162) ( 0.670, 0.108, -0.162) ( 0.21, 0.00, 0.00)
angle ( -0.821, -2.989, -5.388) ( -0.821, -2.989, -5.387) ( 0.00, 0.02, 0.01)
strbnd ( -1.303, -0.763, -0.758) ( -1.303, -0.763, -0.758) ( 0.00, 0.00, 0.00)
torsion ( 0.159, -0.563, 0.283) ( 0.159, -0.563, 0.283) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.089, 3.218, 6.815) ( 2.089, 3.218, 6.815) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
65 ( 1.612, 1.583, -0.244) ( 1.613, 1.584, -0.242) ( 0.09, 0.07, 0.05)
bond ( -0.305, 0.226, -0.426) ( -0.304, 0.227, -0.424) ( 0.03, 0.01, 0.08)
angle ( 3.626, -2.262, -3.808) ( 3.626, -2.262, -3.808) ( 0.01, 0.02, 0.01)
strbnd ( 0.994, -1.017, -0.192) ( 0.994, -1.017, -0.192) ( 0.00, 0.00, 0.00)
torsion ( 0.256, 0.264, -0.043) ( 0.256, 0.264, -0.043) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -2.959, 4.372, 4.225) ( -2.958, 4.372, 4.225) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
66 ( -1.078, 0.552, -0.760) ( -1.078, 0.556, -0.759) ( 0.06, 0.19, 0.05)
@@ -7829,15 +7862,15 @@
angle ( 2.563, -0.264, -3.412) ( 2.563, -0.264, -3.411) ( 0.02, 0.00, 0.02)
strbnd ( 0.510, 0.950, -1.109) ( 0.510, 0.950, -1.109) ( 0.00, 0.00, 0.00)
torsion ( -0.450, 0.067, -0.151) ( -0.450, 0.067, -0.151) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.718, -0.314, 3.909) ( -3.717, -0.314, 3.909) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
67 ( 0.335, 0.250, 0.082) ( 0.336, 0.253, 0.082) ( 0.02, 0.08, 0.00)
bond ( 0.214, -2.095, 0.090) ( 0.214, -2.092, 0.090) ( 0.00, 0.16, 0.00)
angle ( 1.574, 0.246, 1.978) ( 1.575, 0.246, 1.979) ( 0.04, 0.00, 0.03)
strbnd ( -0.777, 1.004, 0.844) ( -0.777, 1.004, 0.844) ( 0.00, 0.00, 0.00)
torsion ( 0.181, -0.026, -1.050) ( 0.181, -0.026, -1.050) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -0.857, 1.121, -1.781) ( -0.857, 1.121, -1.781) ( 0.00, 0.00, 0.00)
electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
68 ( 0.121, 0.190, 0.044) ( 0.122, 0.191, 0.047) ( 0.01, 0.02, 0.01)
@@ -7845,9 +7878,9 @@
angle ( 2.086, -0.263, 0.761) ( 2.086, -0.263, 0.761) ( 0.03, 0.01, 0.01)
strbnd ( 0.013, -1.433, -0.930) ( 0.013, -1.433, -0.930) ( 0.00, 0.00, 0.00)
torsion ( 0.192, -1.114, 0.423) ( 0.192, -1.114, 0.423) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.224, 2.055, -3.126) ( -1.224, 2.055, -3.126) ( 0.01, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
69 ( 0.670, 0.306, 0.584) ( 0.671, 0.308, 0.587) ( 0.08, 0.04, 0.14)
bond ( -0.089, 0.102, 0.156) ( -0.088, 0.103, 0.158) ( 0.01, 0.01, 0.03)
angle ( 0.439, -2.980, 2.180) ( 0.440, -2.979, 2.180) ( 0.02, 0.02, 0.01)
@@ -7869,9 +7902,9 @@
angle ( -0.676, -2.968, -5.094) ( -0.676, -2.967, -5.094) ( 0.01, 0.02, 0.01)
strbnd ( -1.187, -1.166, -0.503) ( -1.187, -1.166, -0.503) ( 0.00, 0.00, 0.00)
torsion ( 0.213, -0.324, 0.223) ( 0.213, -0.324, 0.223) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 0.541, 3.906, 6.307) ( 0.541, 3.906, 6.307) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
72 ( 0.699, 1.329, -0.078) ( 0.701, 1.330, -0.076) ( 0.13, 0.05, 0.02)
bond ( -0.821, 0.235, -0.916) ( -0.820, 0.235, -0.914) ( 0.12, 0.00, 0.17)
angle ( 3.757, -0.301, -3.447) ( 3.757, -0.301, -3.447) ( 0.01, 0.01, 0.01)
@@ -7879,7 +7912,7 @@
torsion ( -0.090, -0.149, 0.042) ( -0.090, -0.149, 0.042) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.334, 2.346, 4.357) ( -3.333, 2.346, 4.357) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
73 ( -0.259, 0.501, -0.385) ( -0.258, 0.505, -0.385) ( 0.01, 0.17, 0.02)
bond ( -0.024, 0.218, -0.017) ( -0.024, 0.221, -0.017) ( 0.00, 0.07, 0.00)
angle ( 2.747, 0.023, -3.607) ( 2.748, 0.023, -3.606) ( 0.02, 0.00, 0.02)
@@ -7887,7 +7920,7 @@
torsion ( -0.122, -0.015, -0.032) ( -0.122, -0.015, -0.032) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -3.075, -0.304, 4.442) ( -3.075, -0.304, 4.443) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
74 ( 0.198, 2.184, -1.550) ( 0.200, 2.185, -1.547) ( 0.04, 0.04, 0.23)
bond ( -0.028, -0.019, -0.043) ( -0.027, -0.018, -0.040) ( 0.00, 0.00, 0.01)
angle ( 2.217, 0.907, -1.911) ( 2.217, 0.907, -1.911) ( 0.01, 0.00, 0.01)
@@ -8070,9 +8103,9 @@
angle ( -3.259, -5.157, -2.297) ( -3.259, -5.157, -2.296) ( 0.01, 0.01, 0.02)
strbnd ( -0.614, 0.250, -1.435) ( -0.614, 0.250, -1.435) ( 0.00, 0.00, 0.00)
torsion ( 0.085, 0.141, 0.107) ( 0.085, 0.141, 0.107) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ oop ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( 2.173, 5.843, 3.461) ( 2.173, 5.843, 3.461) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
22 ( 0.001, 0.003, -0.029) ( 0.002, 0.004, -0.025) ( 0.00, 0.00, 0.01)
bond ( -0.285, 1.036, -3.315) ( -0.285, 1.036, -3.312) ( 0.00, 0.03, 0.09)
angle ( 0.181, -1.068, -0.350) ( 0.182, -1.067, -0.350) ( 0.01, 0.05, 0.00)
@@ -8080,715 +8113,20 @@
torsion ( 0.351, -0.744, -0.263) ( 0.351, -0.744, -0.263) ( 0.00, 0.00, 0.00)
oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
vdw ( -1.220, 1.896, 3.796) ( -1.220, 1.896, 3.796) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
+ electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
23 ( 0.003, -0.104, -0.010) ( 0.007, -0.098, -0.004) ( 0.00, 0.06, 0.01)
bond ( -3.127, -17.812, 3.460) ( -3.123, -17.808, 3.465) ( 0.13, 0.02, 0.13)
- angle ( 0.202, 7.188, -7.171) ( 0.204, 7.190, -7.169) ( 0.04, 0.03, 0.02)
- strbnd ( 3.369, -1.380, -2.585) ( 3.367, -1.380, -2.585) ( 0.04, 0.05, 0.01)
- torsion ( -0.244, 1.380, 2.916) ( -0.244, 1.381, 2.917) ( 0.00, 0.01, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.952, 7.510, 2.573) ( -0.952, 7.510, 2.573) ( 0.00, 0.00, 0.00)
- electro ( 0.755, 3.009, 0.796) ( 0.755, 3.009, 0.796) ( 0.00, 0.00, 0.00)
-24 ( 0.007, -0.018, -0.003) ( 0.008, -0.016, -0.001) ( 0.00, 0.00, 0.00)
- bond ( 0.060, 1.792, 1.597) ( 0.060, 1.794, 1.599) ( 0.00, 0.10, 0.09)
- angle ( -3.575, -1.364, 1.663) ( -3.575, -1.363, 1.664) ( 0.02, 0.02, 0.02)
- strbnd ( -0.521, 0.527, -1.117) ( -0.521, 0.527, -1.117) ( 0.00, 0.00, 0.00)
- torsion ( 0.187, -0.049, 0.048) ( 0.187, -0.049, 0.048) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 3.856, -0.925, -2.194) ( 3.857, -0.925, -2.194) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-25 ( 0.066, -0.058, -0.075) ( 0.072, -0.052, -0.069) ( 0.04, 0.03, 0.04)
- bond (-13.633, 0.941, 12.416) (-13.629, 0.945, 12.421) ( 0.03, 0.39, 0.04)
- angle ( 2.350, 2.416, -9.408) ( 2.353, 2.418, -9.406) ( 0.09, 0.08, 0.02)
- strbnd ( 0.055, 4.163, -0.501) ( 0.054, 4.162, -0.502) ( 0.00, 0.03, 0.04)
- torsion ( 2.065, -2.248, 1.183) ( 2.065, -2.248, 1.183) ( 0.00, 0.00, 0.01)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 6.223, -3.991, -2.667) ( 6.223, -3.991, -2.667) ( 0.00, 0.00, 0.00)
- electro ( 3.006, -1.338, -1.097) ( 3.006, -1.338, -1.097) ( 0.00, 0.00, 0.00)
-26 ( -0.004, -0.009, 0.017) ( -0.004, -0.008, 0.020) ( 0.00, 0.00, 0.01)
- bond ( -0.508, 1.114, -2.671) ( -0.508, 1.115, -2.668) ( 0.01, 0.04, 0.10)
- angle ( -3.386, -1.138, 0.169) ( -3.386, -1.138, 0.170) ( 0.02, 0.04, 0.00)
- strbnd ( -0.285, 1.027, 0.757) ( -0.285, 1.027, 0.757) ( 0.00, 0.00, 0.00)
- torsion ( -0.469, 0.506, 0.301) ( -0.469, 0.506, 0.301) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 4.645, -1.519, 1.461) ( 4.645, -1.518, 1.461) ( 0.00, 0.01, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-27 ( -0.053, 0.087, 0.044) ( -0.047, 0.093, 0.047) ( 0.03, 0.05, 0.01)
- bond (-15.148, -5.941, -10.039) (-15.143, -5.937, -10.037) ( 0.03, 0.08, 0.02)
- angle ( -5.200, -8.059, 8.744) ( -5.198, -8.058, 8.745) ( 0.03, 0.02, 0.02)
- strbnd ( -1.543, -1.202, 1.549) ( -1.544, -1.203, 1.548) ( 0.04, 0.04, 0.03)
- torsion ( -0.831, 0.963, -3.227) ( -0.831, 0.963, -3.226) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 6.577, 4.313, -0.037) ( 6.577, 4.313, -0.037) ( 0.00, 0.00, 0.00)
- electro ( 16.093, 10.014, 3.054) ( 16.093, 10.014, 3.054) ( 0.00, 0.00, 0.00)
-28 ( 0.001, 0.014, -0.042) ( 0.002, 0.015, -0.039) ( 0.00, 0.00, 0.01)
- bond ( 0.463, -1.202, 2.694) ( 0.464, -1.202, 2.697) ( 0.00, 0.05, 0.10)
- angle ( 0.035, -0.321, -0.149) ( 0.036, -0.320, -0.149) ( 0.00, 0.01, 0.00)
- strbnd ( -0.222, -0.567, -1.132) ( -0.222, -0.567, -1.132) ( 0.00, 0.00, 0.00)
- torsion ( 0.438, -1.586, -0.782) ( 0.438, -1.586, -0.782) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.714, 3.690, -0.674) ( -0.714, 3.690, -0.674) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-29 ( 0.008, 0.030, 0.008) ( 0.008, 0.032, 0.009) ( 0.00, 0.01, 0.00)
- bond ( -0.087, -1.217, -1.051) ( -0.087, -1.215, -1.050) ( 0.00, 0.16, 0.14)
- angle ( -0.252, 0.112, -0.110) ( -0.251, 0.113, -0.110) ( 0.02, 0.00, 0.00)
- strbnd ( 0.115, 0.045, 1.331) ( 0.115, 0.045, 1.331) ( 0.00, 0.00, 0.00)
- torsion ( -0.210, 0.236, -0.255) ( -0.210, 0.236, -0.255) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.441, 0.855, 0.093) ( 0.441, 0.855, 0.093) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-30 ( -0.057, 0.017, 0.002) ( -0.054, 0.018, 0.002) ( 0.02, 0.00, 0.00)
- bond ( -1.435, 0.851, -0.093) ( -1.433, 0.852, -0.093) ( 0.17, 0.08, 0.00)
- angle ( -0.122, -0.244, -0.343) ( -0.122, -0.243, -0.342) ( 0.00, 0.01, 0.02)
- strbnd ( 0.598, -0.582, 1.034) ( 0.598, -0.582, 1.034) ( 0.00, 0.00, 0.00)
- torsion ( -0.027, -0.078, -0.298) ( -0.027, -0.078, -0.297) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.930, 0.070, -0.299) ( 0.930, 0.070, -0.299) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-31 ( 0.005, -0.020, 0.028) ( 0.006, -0.019, 0.031) ( 0.00, 0.00, 0.01)
- bond ( 0.312, -0.902, 2.849) ( 0.312, -0.902, 2.852) ( 0.00, 0.03, 0.11)
- angle ( -0.502, 0.107, 0.089) ( -0.501, 0.107, 0.089) ( 0.03, 0.01, 0.00)
- strbnd ( -0.940, 0.677, -0.469) ( -0.940, 0.677, -0.469) ( 0.00, 0.00, 0.00)
- torsion ( -1.235, 1.160, 0.502) ( -1.235, 1.160, 0.502) ( 0.00, 0.00, 0.00)
- oop ( 0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 2.370, -1.062, -2.942) ( 2.370, -1.062, -2.942) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-32 ( 0.003, -0.016, -0.010) ( 0.005, -0.014, -0.009) ( 0.00, 0.00, 0.00)
- bond ( -0.021, -0.018, 0.009) ( -0.019, -0.016, 0.009) ( 0.00, 0.00, 0.00)
- angle ( -0.160, 0.222, 0.062) ( -0.160, 0.222, 0.062) ( 0.00, 0.01, 0.00)
- strbnd ( -0.521, 0.030, -0.937) ( -0.521, 0.030, -0.938) ( 0.00, 0.00, 0.01)
- torsion ( 0.592, -0.069, 1.057) ( 0.592, -0.069, 1.057) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.902, 0.369, 0.423) ( 0.902, 0.369, 0.423) ( 0.00, 0.00, 0.00)
- electro ( -0.789, -0.550, -0.623) ( -0.789, -0.550, -0.623) ( 0.00, 0.00, 0.00)
-33 ( -0.030, -0.053, 0.105) ( -0.019, -0.047, 0.022) ( 0.03, 0.03, 0.87)
- bond ( -1.616, -9.765, 0.189) ( -1.616, -9.756, 0.189) ( 0.01, 0.10, 0.00)
- angle ( 20.636, -3.367, 2.623) ( 20.637, -3.367, 2.623) ( 0.00, 0.00, 0.00)
- strbnd ( 0.680, 2.049, 0.006) ( 0.680, 2.049, 0.006) ( 0.00, 0.00, 0.00)
- torsion ( -0.339, 0.113, 2.931) ( -0.339, 0.113, 2.931) ( 0.00, 0.00, 0.00)
- oop ( -0.045, 0.015, 0.377) ( -0.035, 0.012, 0.294) ( 0.04, 0.00, 3.13)
- vdw ( -3.314, -1.163, -1.055) ( -3.314, -1.163, -1.055) ( 0.00, 0.00, 0.00)
- electro (-16.031, 12.066, -4.968) (-16.031, 12.066, -4.968) ( 0.00, 0.00, 0.00)
-34 ( 0.021, 0.161, 0.031) ( 0.031, 0.164, -0.005) ( 0.02, 0.05, 0.11)
- bond ( -3.927, 2.786, -0.594) ( -3.921, 2.789, -0.594) ( 0.15, 0.13, 0.00)
- angle ( 16.132, -2.853, 2.371) ( 16.132, -2.852, 2.372) ( 0.00, 0.05, 0.01)
- strbnd ( -0.845, 3.072, -0.258) ( -0.845, 3.072, -0.258) ( 0.00, 0.01, 0.00)
- torsion ( 0.144, -0.049, -1.174) ( 0.144, -0.049, -1.173) ( 0.00, 0.00, 0.02)
- oop ( -0.036, 0.013, 0.294) ( -0.031, 0.011, 0.258) ( 0.02, 0.00, 1.06)
- vdw (-11.558, -6.965, 1.339) (-11.558, -6.965, 1.339) ( 0.00, 0.00, 0.00)
- electro ( 0.110, 4.158, -1.948) ( 0.110, 4.158, -1.948) ( 0.00, 0.00, 0.00)
-35 ( -0.101, -0.084, -0.013) ( -0.097, -0.081, -0.013) ( 0.04, 0.02, 0.00)
- bond ( 0.234, 0.187, 0.015) ( 0.238, 0.189, 0.015) ( 0.08, 0.04, 0.00)
- angle ( -9.135, 11.640, -1.684) ( -9.135, 11.640, -1.684) ( 0.00, 0.00, 0.00)
- strbnd ( -1.252, -0.773, -0.092) ( -1.252, -0.773, -0.092) ( 0.00, 0.00, 0.00)
- torsion ( 0.050, -0.027, -0.452) ( 0.050, -0.027, -0.452) ( 0.00, 0.00, 0.01)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.204, 0.155, -0.034) ( -0.204, 0.155, -0.034) ( 0.00, 0.00, 0.00)
- electro ( 10.207, -11.265, 2.235) ( 10.207, -11.265, 2.235) ( 0.00, 0.00, 0.00)
-36 ( 0.023, -0.029, -0.012) ( 0.030, -0.025, -0.007) ( 0.01, 0.01, 0.01)
- bond ( 1.340, -4.011, -2.272) ( 1.346, -4.008, -2.268) ( 0.45, 0.07, 0.18)
- angle ( -1.289, 0.664, 1.982) ( -1.288, 0.666, 1.984) ( 0.08, 0.10, 0.10)
- strbnd ( 0.232, -0.792, 0.487) ( 0.231, -0.793, 0.486) ( 0.02, 0.03, 0.03)
- torsion ( -1.155, 0.195, -0.282) ( -1.155, 0.195, -0.282) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.717, 5.471, 0.093) ( 0.717, 5.471, 0.093) ( 0.00, 0.00, 0.00)
- electro ( 0.179, -1.556, -0.020) ( 0.179, -1.556, -0.020) ( 0.00, 0.00, 0.00)
-37 ( 0.029, 0.043, -0.047) ( 0.034, 0.047, -0.041) ( 0.01, 0.02, 0.03)
- bond ( 1.435, -3.700, -1.718) ( 1.438, -3.696, -1.713) ( 0.27, 0.10, 0.31)
- angle ( 0.328, 0.545, 0.556) ( 0.329, 0.546, 0.558) ( 0.03, 0.08, 0.12)
- strbnd ( -0.069, -0.300, 0.440) ( -0.069, -0.301, 0.439) ( 0.00, 0.01, 0.04)
- torsion ( 0.956, 0.601, 0.479) ( 0.956, 0.601, 0.479) ( 0.01, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -2.832, 4.136, 0.355) ( -2.832, 4.136, 0.355) ( 0.00, 0.00, 0.00)
- electro ( 0.210, -1.238, -0.159) ( 0.210, -1.238, -0.159) ( 0.00, 0.00, 0.00)
-38 ( -0.013, 0.017, -0.005) ( -0.012, 0.019, -0.003) ( 0.00, 0.00, 0.00)
- bond ( 0.435, -0.767, 0.899) ( 0.435, -0.766, 0.901) ( 0.02, 0.11, 0.17)
- angle ( 0.496, 0.229, -0.045) ( 0.496, 0.229, -0.045) ( 0.03, 0.00, 0.00)
- strbnd ( -0.157, 0.213, -0.446) ( -0.157, 0.213, -0.446) ( 0.00, 0.00, 0.00)
- torsion ( 0.563, -0.012, -0.282) ( 0.563, -0.012, -0.283) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.724, 0.200, 0.015) ( -0.724, 0.200, 0.015) ( 0.00, 0.00, 0.00)
- electro ( -0.625, 0.154, -0.145) ( -0.625, 0.154, -0.145) ( 0.00, 0.00, 0.00)
-39 ( -0.005, -0.008, 0.012) ( -0.003, -0.007, 0.014) ( 0.00, 0.00, 0.00)
- bond ( 0.863, 0.325, -0.866) ( 0.864, 0.325, -0.865) ( 0.15, 0.01, 0.15)
- angle ( 0.432, -1.789, -0.241) ( 0.433, -1.789, -0.241) ( 0.01, 0.02, 0.01)
- strbnd ( -0.148, -0.179, 0.111) ( -0.148, -0.179, 0.111) ( 0.00, 0.00, 0.00)
- torsion ( 0.500, -0.248, 0.406) ( 0.500, -0.248, 0.406) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -1.310, 2.013, 0.436) ( -1.310, 2.013, 0.436) ( 0.00, 0.00, 0.00)
- electro ( -0.342, -0.130, 0.167) ( -0.342, -0.130, 0.167) ( 0.00, 0.00, 0.00)
-40 ( -0.029, -0.039, 0.034) ( -0.028, -0.036, 0.035) ( 0.00, 0.01, 0.00)
- bond ( -0.592, -0.813, 0.455) ( -0.591, -0.811, 0.456) ( 0.06, 0.16, 0.03)
- angle ( -0.349, 0.064, -0.339) ( -0.348, 0.064, -0.339) ( 0.01, 0.00, 0.02)
- strbnd ( 0.254, 0.177, -0.194) ( 0.254, 0.177, -0.194) ( 0.00, 0.00, 0.00)
- torsion ( -0.231, -0.135, -0.540) ( -0.231, -0.135, -0.540) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.504, 0.376, 0.413) ( 0.504, 0.376, 0.413) ( 0.00, 0.00, 0.00)
- electro ( 0.385, 0.292, 0.238) ( 0.385, 0.292, 0.238) ( 0.00, 0.00, 0.00)
-41 ( 0.005, -0.012, 0.021) ( 0.005, -0.011, 0.024) ( 0.00, 0.00, 0.01)
- bond ( -0.265, 0.213, -1.387) ( -0.265, 0.213, -1.384) ( 0.00, 0.00, 0.25)
- angle ( -0.002, -0.794, -0.122) ( -0.001, -0.793, -0.122) ( 0.00, 0.04, 0.00)
- strbnd ( 0.104, -0.149, 0.254) ( 0.104, -0.149, 0.254) ( 0.00, 0.00, 0.00)
- torsion ( -0.534, -0.473, 0.029) ( -0.534, -0.473, 0.029) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.465, 1.537, 0.914) ( 0.465, 1.537, 0.914) ( 0.00, 0.00, 0.00)
- electro ( 0.237, -0.346, 0.332) ( 0.237, -0.346, 0.332) ( 0.00, 0.00, 0.00)
-42 ( 0.013, 0.008, -0.041) ( 0.014, 0.009, -0.038) ( 0.00, 0.00, 0.01)
- bond ( -1.424, -0.121, 4.422) ( -1.424, -0.120, 4.425) ( 0.03, 0.00, 0.07)
- angle ( 0.750, -1.072, 0.212) ( 0.750, -1.071, 0.212) ( 0.02, 0.08, 0.00)
- strbnd ( 0.500, -0.190, -1.471) ( 0.500, -0.190, -1.471) ( 0.00, 0.00, 0.00)
- torsion ( -0.246, 0.662, -0.061) ( -0.246, 0.662, -0.061) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.074, 0.895, -1.822) ( -0.074, 0.895, -1.822) ( 0.00, 0.00, 0.00)
- electro ( 0.507, -0.167, -1.321) ( 0.507, -0.167, -1.321) ( 0.00, 0.00, 0.00)
-ok 24 # gradients
-ok 25 # energy
-----------------------------------------------------------------------------------------
-
- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
-
-
-ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%)
-----------------------------------------------------------------------------------------
- 1 ( 0.094, -0.054, 0.252) ( 0.101, -0.049, 0.257) ( 0.07, 0.03, 0.12)
- bond ( 0.405, 3.441, 0.242) ( 0.412, 3.445, 0.242) ( 0.28, 0.13, 0.00)
- angle ( -0.409, 0.650, -0.195) ( -0.408, 0.652, -0.195) ( 0.06, 0.11, 0.00)
- strbnd ( -0.322, -4.041, -0.254) ( -0.322, -4.042, -0.254) ( 0.01, 0.03, 0.00)
- torsion ( -0.032, -0.018, 0.320) ( -0.032, -0.018, 0.321) ( 0.00, 0.00, 0.03)
- oop ( 0.002, 0.001, -0.014) ( 0.001, 0.001, -0.011) ( 0.00, 0.00, 0.01)
- vdw ( -0.047, -0.020, -0.019) ( -0.047, -0.020, -0.019) ( 0.00, 0.00, 0.00)
- electro ( 0.497, -0.068, 0.172) ( 0.497, -0.068, 0.172) ( 0.00, 0.00, 0.00)
- 2 ( -0.202, -0.384, 0.053) ( -0.198, -0.377, 0.070) ( 0.09, 0.28, 0.09)
- bond ( 3.541, -2.137, 0.264) ( 3.546, -2.131, 0.265) ( 0.15, 0.30, 0.00)
- angle ( 1.746, 1.275, 0.298) ( 1.748, 1.277, 0.298) ( 0.10, 0.14, 0.00)
- strbnd ( -2.090, 1.285, -0.146) ( -2.091, 1.285, -0.146) ( 0.05, 0.01, 0.00)
- torsion ( 0.033, 0.016, -0.297) ( 0.034, 0.016, -0.296) ( 0.00, 0.00, 0.04)
- oop ( 0.010, 0.005, -0.088) ( 0.009, 0.004, -0.072) ( 0.00, 0.00, 0.14)
- vdw ( -3.041, -0.539, -0.132) ( -3.041, -0.539, -0.132) ( 0.00, 0.00, 0.00)
- electro ( -0.403, -0.288, 0.154) ( -0.403, -0.288, 0.154) ( 0.00, 0.00, 0.00)
- 3 ( -0.110, 0.062, 0.058) ( -0.093, 0.078, -0.064) ( 0.18, 0.10, 0.70)
- bond ( 10.808, 8.532, 1.851) ( 10.812, 8.538, 1.851) ( 0.04, 0.07, 0.01)
- angle ( -1.280, -12.576, -1.628) ( -1.278, -12.574, -1.628) ( 0.16, 0.02, 0.03)
- strbnd ( -2.662, -2.231, -0.989) ( -2.662, -2.232, -0.989) ( 0.02, 0.03, 0.01)
- torsion ( -0.153, 0.061, 1.120) ( -0.153, 0.061, 1.121) ( 0.00, 0.00, 0.09)
- oop ( -0.073, -0.051, 0.782) ( -0.062, -0.043, 0.659) ( 0.08, 0.04, 9.60)
- vdw ( -8.513, 7.070, -1.049) ( -8.513, 7.070, -1.049) ( 0.00, 0.00, 0.00)
- electro ( 1.764, -0.743, -0.030) ( 1.764, -0.743, -0.030) ( 0.00, 0.00, 0.00)
- 4 ( -0.088, -0.102, -0.382) ( -0.110, -0.122, -0.055) ( 0.20, 0.20, 12.48)
- bond ( 20.270, -4.350, 1.475) ( 20.275, -4.343, 1.476) ( 0.02, 0.15, 0.01)
- angle ( 12.458, 12.739, 3.115) ( 12.460, 12.741, 3.115) ( 0.02, 0.01, 0.01)
- strbnd (-17.883, -3.513, -1.809) (-17.884, -3.514, -1.809) ( 0.01, 0.03, 0.00)
- torsion ( 0.036, 0.065, -1.684) ( 0.036, 0.065, -1.683) ( 0.00, 0.00, 0.04)
- oop ( 0.171, 0.149, -1.871) ( 0.143, 0.122, -1.545) ( 0.48, 0.40, 17.39)
- vdw (-12.241, -4.949, 0.142) (-12.241, -4.949, 0.142) ( 0.00, 0.00, 0.00)
- electro ( -2.899, -0.244, 0.249) ( -2.899, -0.244, 0.249) ( 0.00, 0.00, 0.00)
- 5 ( -0.068, -0.017, -0.125) ( -0.065, -0.011, -0.110) ( 0.02, 0.01, 0.19)
- bond ( 1.518, -21.327, -9.249) ( 1.522, -21.323, -9.244) ( 0.25, 0.02, 0.05)
- angle ( -8.489, 14.472, 7.087) ( -8.487, 14.475, 7.088) ( 0.02, 0.02, 0.02)
- strbnd ( 11.557, 1.653, 2.302) ( 11.556, 1.652, 2.302) ( 0.01, 0.05, 0.02)
- torsion ( -0.182, 0.061, -1.411) ( -0.182, 0.061, -1.410) ( 0.00, 0.00, 0.02)
- oop ( 0.005, 0.003, -0.040) ( 0.004, 0.002, -0.031) ( 0.00, 0.00, 0.04)
- vdw ( -7.969, 3.574, 1.404) ( -7.968, 3.574, 1.404) ( 0.00, 0.00, 0.00)
- electro ( 3.491, 1.548, -0.219) ( 3.491, 1.548, -0.219) ( 0.00, 0.00, 0.00)
- 6 ( 0.024, -0.167, 0.098) ( 0.036, -0.156, 0.018) ( 0.03, 0.18, 0.79)
- bond ( -9.999, -4.566, -1.383) ( -9.996, -4.563, -1.383) ( 0.03, 0.06, 0.00)
- angle ( 0.723, -4.226, -0.076) ( 0.723, -4.225, -0.077) ( 0.04, 0.03, 0.00)
- strbnd ( 12.551, 6.889, 1.807) ( 12.551, 6.889, 1.807) ( 0.00, 0.01, 0.00)
- torsion ( 0.080, 0.020, -0.668) ( 0.080, 0.020, -0.667) ( 0.00, 0.00, 0.01)
- oop ( -0.057, -0.045, 0.532) ( -0.048, -0.038, 0.452) ( 0.05, 0.03, 4.28)
- vdw ( -3.283, 1.455, -0.244) ( -3.283, 1.455, -0.244) ( 0.00, 0.00, 0.00)
- electro ( 0.009, 0.307, 0.130) ( 0.009, 0.307, 0.130) ( 0.00, 0.00, 0.00)
- 7 ( -0.002, 0.041, -0.083) ( 0.003, 0.047, -0.081) ( 0.00, 0.02, 0.02)
- bond ( 10.203, 5.616, 25.277) ( 10.207, 5.620, 25.278) ( 0.04, 0.07, 0.00)
- angle (-14.427, 4.571, -29.699) (-14.425, 4.572, -29.697) ( 0.01, 0.03, 0.01)
- strbnd ( 1.147, -1.228, -0.703) ( 1.146, -1.229, -0.703) ( 0.05, 0.04, 0.03)
- torsion ( 1.193, -0.605, -0.282) ( 1.193, -0.605, -0.282) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 5.912, 0.367, 4.636) ( 5.912, 0.367, 4.636) ( 0.00, 0.00, 0.00)
- electro ( -4.030, -8.679, 0.687) ( -4.030, -8.679, 0.687) ( 0.00, 0.00, 0.00)
- 8 ( -0.124, -0.019, -0.296) ( -0.123, -0.017, -0.295) ( 0.01, 0.01, 0.03)
- bond ( -0.019, -0.836, 0.410) ( -0.019, -0.833, 0.411) ( 0.00, 0.23, 0.03)
- angle ( 4.770, -0.609, -1.012) ( 4.771, -0.609, -1.012) ( 0.01, 0.01, 0.04)
- strbnd ( 0.249, 0.128, -1.740) ( 0.249, 0.128, -1.740) ( 0.00, 0.00, 0.00)
- torsion ( -0.173, -0.083, -0.176) ( -0.173, -0.083, -0.176) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -4.951, 1.380, 2.222) ( -4.951, 1.380, 2.222) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- 9 ( -0.069, 0.131, -0.224) ( -0.068, 0.132, -0.221) ( 0.01, 0.01, 0.07)
- bond ( -0.548, -0.489, -3.470) ( -0.548, -0.489, -3.467) ( 0.01, 0.00, 0.09)
- angle ( 2.634, -1.083, -0.264) ( 2.635, -1.082, -0.264) ( 0.02, 0.05, 0.00)
- strbnd ( 0.419, -1.396, 0.765) ( 0.419, -1.396, 0.765) ( 0.00, 0.00, 0.00)
- torsion ( -0.167, -0.223, 0.058) ( -0.167, -0.223, 0.058) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -2.406, 3.323, 2.687) ( -2.406, 3.323, 2.687) ( 0.00, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-10 ( -0.074, -0.055, -0.182) ( -0.069, -0.050, -0.177) ( 0.04, 0.03, 0.10)
- bond (-15.381, 12.089, -12.058) (-15.377, 12.093, -12.053) ( 0.02, 0.04, 0.04)
- angle ( 8.484, -11.406, 11.903) ( 8.487, -11.404, 11.904) ( 0.03, 0.02, 0.01)
- strbnd ( 4.060, 9.673, 0.443) ( 4.059, 9.672, 0.443) ( 0.02, 0.01, 0.02)
- torsion ( 1.330, -0.770, -1.490) ( 1.330, -0.769, -1.490) ( 0.01, 0.00, 0.01)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.699, -11.336, 1.328) ( 1.699, -11.336, 1.328) ( 0.01, 0.00, 0.00)
- electro ( -0.266, 1.694, -0.308) ( -0.266, 1.694, -0.308) ( 0.00, 0.00, 0.00)
-11 ( 0.037, -0.007, -0.105) ( 0.053, 0.011, -0.240) ( 0.06, 0.01, 1.41)
- bond ( 9.639, 15.878, 4.037) ( 9.642, 15.883, 4.041) ( 0.04, 0.03, 0.11)
- angle ( -9.172, -2.161, -6.458) ( -9.170, -2.158, -6.456) ( 0.02, 0.11, 0.02)
- strbnd ( 1.149, -6.264, -0.982) ( 1.147, -6.265, -0.982) ( 0.10, 0.02, 0.04)
- torsion ( -0.350, -0.442, 3.225) ( -0.350, -0.442, 3.225) ( 0.00, 0.00, 0.00)
- oop ( -0.054, -0.059, 0.659) ( -0.042, -0.046, 0.518) ( 0.06, 0.07, 9.28)
- vdw ( -0.242, -4.058, -0.450) ( -0.242, -4.058, -0.450) ( 0.00, 0.00, 0.00)
- electro ( -0.932, -2.902, -0.135) ( -0.932, -2.902, -0.135) ( 0.00, 0.00, 0.00)
-12 ( 0.007, 0.058, -0.013) ( 0.009, 0.059, -0.013) ( 0.00, 0.01, 0.00)
- bond ( -1.070, 0.929, 0.454) ( -1.069, 0.931, 0.454) ( 0.16, 0.12, 0.01)
- angle ( 4.468, 5.608, -0.977) ( 4.468, 5.608, -0.977) ( 0.01, 0.01, 0.05)
- strbnd ( 0.788, -0.295, -1.704) ( 0.788, -0.295, -1.704) ( 0.00, 0.00, 0.00)
- torsion ( -0.551, -1.028, 0.811) ( -0.551, -1.028, 0.811) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -3.628, -5.157, 1.404) ( -3.628, -5.157, 1.404) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-13 ( -0.120, 0.039, -0.037) ( -0.119, 0.040, -0.033) ( 0.01, 0.00, 0.01)
- bond ( -0.328, -0.292, -3.901) ( -0.328, -0.292, -3.897) ( 0.00, 0.00, 0.08)
- angle ( -0.446, 1.585, -0.081) ( -0.446, 1.585, -0.081) ( 0.02, 0.04, 0.00)
- strbnd ( -0.722, 1.212, 0.784) ( -0.722, 1.212, 0.784) ( 0.00, 0.00, 0.00)
- torsion ( -0.435, 1.492, -0.075) ( -0.435, 1.492, -0.075) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.812, -3.957, 3.236) ( 1.812, -3.957, 3.236) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-14 ( 0.067, 0.147, -0.288) ( 0.068, 0.148, -0.285) ( 0.00, 0.01, 0.08)
- bond ( -0.175, 1.062, 2.357) ( -0.175, 1.063, 2.360) ( 0.00, 0.05, 0.12)
- angle ( -0.080, -0.961, 0.427) ( -0.080, -0.961, 0.427) ( 0.00, 0.04, 0.00)
- strbnd ( 0.554, 0.475, -1.094) ( 0.554, 0.475, -1.094) ( 0.00, 0.00, 0.00)
- torsion ( -0.550, 1.444, -0.691) ( -0.550, 1.444, -0.691) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.318, -1.873, -1.287) ( 0.318, -1.873, -1.287) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-15 ( 0.046, -0.135, -0.333) ( 0.047, -0.133, -0.331) ( 0.00, 0.03, 0.06)
- bond ( 0.373, 1.480, -1.330) ( 0.373, 1.482, -1.328) ( 0.00, 0.12, 0.11)
- angle ( -2.004, 0.579, 0.084) ( -2.004, 0.580, 0.085) ( 0.03, 0.01, 0.00)
- strbnd ( 0.258, 0.339, 0.948) ( 0.258, 0.339, 0.948) ( 0.00, 0.00, 0.00)
- torsion ( 0.462, -0.620, -0.562) ( 0.462, -0.620, -0.562) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.958, -1.914, 0.528) ( 0.958, -1.914, 0.528) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-16 ( -0.222, -0.176, 0.346) ( -0.217, -0.175, 0.343) ( 0.09, 0.02, 0.10)
- bond ( 0.758, -0.200, 0.086) ( 0.762, -0.200, 0.086) ( 0.28, 0.01, 0.00)
- angle ( 0.078, 0.315, 0.044) ( 0.078, 0.315, 0.044) ( 0.00, 0.02, 0.00)
- strbnd ( -0.224, 0.410, -0.006) ( -0.224, 0.410, -0.006) ( 0.00, 0.00, 0.00)
- torsion ( -0.053, -0.023, 0.416) ( -0.053, -0.023, 0.416) ( 0.00, 0.00, 0.01)
- oop ( -0.002, -0.001, 0.014) ( -0.001, -0.001, 0.011) ( 0.00, 0.00, 0.00)
- vdw ( -0.370, -0.087, -0.051) ( -0.370, -0.087, -0.051) ( 0.00, 0.00, 0.00)
- electro ( -0.409, -0.590, -0.156) ( -0.409, -0.590, -0.156) ( 0.00, 0.00, 0.00)
-17 ( -0.172, -0.001, 0.210) ( -0.170, 0.003, 0.205) ( 0.02, 0.00, 0.11)
- bond ( 0.202, -2.402, -0.106) ( 0.202, -2.398, -0.106) ( 0.00, 0.16, 0.00)
- angle ( 0.155, 0.010, 0.062) ( 0.156, 0.010, 0.062) ( 0.01, 0.00, 0.00)
- strbnd ( 0.312, 1.242, 0.101) ( 0.312, 1.242, 0.101) ( 0.00, 0.00, 0.00)
- torsion ( -0.037, -0.018, 0.329) ( -0.037, -0.018, 0.329) ( 0.00, 0.00, 0.01)
- oop ( -0.003, -0.001, 0.025) ( -0.002, -0.001, 0.019) ( 0.00, 0.00, 0.01)
- vdw ( -0.532, 0.720, -0.009) ( -0.532, 0.720, -0.009) ( 0.00, 0.00, 0.00)
- electro ( -0.269, 0.447, -0.192) ( -0.269, 0.447, -0.192) ( 0.00, 0.00, 0.00)
-18 ( -0.081, -0.033, -0.057) ( -0.060, -0.053, -0.067) ( 0.17, 0.07, 0.06)
- bond ( -6.379, 0.928, -24.889) ( -6.375, 0.931, -24.885) ( 0.06, 0.30, 0.02)
- angle ( 9.056, 0.616, 23.534) ( 9.058, 0.619, 23.536) ( 0.02, 0.14, 0.01)
- strbnd ( -5.196, -2.586, -0.461) ( -5.197, -2.587, -0.462) ( 0.03, 0.04, 0.02)
- torsion ( 1.569, -1.208, 0.648) ( 1.569, -1.208, 0.648) ( 0.00, 0.01, 0.00)
- oop ( -0.120, 0.144, 0.106) ( -0.104, 0.120, 0.090) ( 0.19, 0.35, 0.17)
- vdw ( 1.409, 4.724, -3.655) ( 1.409, 4.724, -3.655) ( 0.01, 0.00, 0.00)
- electro ( -0.420, -2.651, 4.661) ( -0.420, -2.651, 4.661) ( 0.00, 0.00, 0.00)
-19 ( -0.058, 0.004, 0.349) ( -0.047, 0.015, 0.354) ( 0.06, 0.00, 0.19)
- bond ( -2.284, 1.490, -1.564) ( -2.281, 1.492, -1.560) ( 0.13, 0.13, 0.31)
- angle ( -1.097, -5.742, -2.880) ( -1.096, -5.741, -2.878) ( 0.12, 0.02, 0.06)
- strbnd ( 3.814, -3.033, 2.137) ( 3.814, -3.033, 2.137) ( 0.01, 0.00, 0.01)
- torsion ( 0.420, 0.671, -0.162) ( 0.420, 0.672, -0.162) ( 0.02, 0.04, 0.00)
- oop ( -0.056, -0.065, 0.006) ( -0.050, -0.058, 0.005) ( 0.04, 0.05, 0.00)
- vdw ( -0.306, 9.504, 2.421) ( -0.306, 9.504, 2.421) ( 0.01, 0.00, 0.00)
- electro ( -0.549, -2.822, 0.391) ( -0.549, -2.822, 0.391) ( 0.00, 0.00, 0.00)
-20 ( 0.614, 0.560, 0.386) ( 0.502, 0.609, 0.460) ( 6.89, 2.73, 2.86)
- bond ( -2.231, -20.883, 8.347) ( -2.227, -20.877, 8.352) ( 0.15, 0.03, 0.06)
- angle ( -4.426, 15.205, -3.475) ( -4.426, 15.207, -3.473) ( 0.02, 0.01, 0.05)
- strbnd ( -4.771, -2.312, -7.995) ( -4.772, -2.313, -7.996) ( 0.01, 0.04, 0.02)
- torsion ( -2.925, 0.824, 1.217) ( -2.924, 0.824, 1.217) ( 0.01, 0.00, 0.00)
- oop ( 0.652, -0.226, -0.380) ( 0.536, -0.185, -0.311) ( 7.57, 0.92, 2.60)
- vdw ( 7.151, 3.310, 3.612) ( 7.151, 3.310, 3.612) ( 0.00, 0.00, 0.00)
- electro ( 7.163, 4.641, -0.940) ( 7.163, 4.641, -0.940) ( 0.00, 0.00, 0.00)
-21 ( -0.124, -0.034, 0.051) ( -0.123, -0.033, 0.055) ( 0.01, 0.00, 0.02)
- bond ( -0.235, -0.308, -2.219) ( -0.235, -0.308, -2.216) ( 0.00, 0.00, 0.15)
- angle ( 4.698, -5.851, 0.315) ( 4.699, -5.850, 0.315) ( 0.01, 0.01, 0.00)
- strbnd ( -0.581, -0.336, 1.443) ( -0.581, -0.336, 1.443) ( 0.00, 0.00, 0.00)
- torsion ( -1.301, 0.144, 0.118) ( -1.301, 0.144, 0.118) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -2.704, 6.318, 0.395) ( -2.704, 6.318, 0.395) ( 0.01, 0.00, 0.00)
- electro ( 0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-22 ( -0.190, -0.210, -0.397) ( -0.195, -0.220, -0.390) ( 0.10, 0.21, 0.27)
- bond ( 7.110, -5.000, 16.974) ( 7.113, -4.998, 16.979) ( 0.05, 0.04, 0.03)
- angle ( -2.542, 1.862, -6.168) ( -2.541, 1.862, -6.166) ( 0.04, 0.04, 0.03)
- strbnd ( -2.998, 2.586, 2.923) ( -2.998, 2.586, 2.923) ( 0.00, 0.00, 0.01)
- torsion ( 0.187, 0.206, 0.004) ( 0.187, 0.207, 0.004) ( 0.01, 0.02, 0.00)
- oop ( 0.071, 0.090, -0.001) ( 0.060, 0.076, -0.000) ( 0.07, 0.12, 0.00)
- vdw ( -3.409, 1.113, -13.213) ( -3.409, 1.113, -13.213) ( 0.00, 0.01, 0.00)
- electro ( 1.392, -1.067, -0.917) ( 1.392, -1.067, -0.917) ( 0.00, 0.00, 0.00)
-23 ( -0.334, -0.228, 0.485) ( -0.328, -0.223, 0.493) ( 0.22, 0.13, 0.36)
- bond ( -4.764, 3.427, 11.494) ( -4.760, 3.429, 11.499) ( 0.07, 0.06, 0.05)
- angle ( 1.122, -0.757, 2.811) ( 1.123, -0.756, 2.813) ( 0.09, 0.04, 0.06)
- strbnd ( 2.035, -1.610, -1.356) ( 2.035, -1.610, -1.356) ( 0.01, 0.01, 0.01)
- torsion ( -0.226, -0.307, 0.011) ( -0.225, -0.307, 0.011) ( 0.01, 0.03, 0.00)
- oop ( -0.009, -0.013, -0.000) ( -0.008, -0.010, -0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.387, -0.990, -13.718) ( 1.387, -0.990, -13.718) ( 0.00, 0.00, 0.00)
- electro ( 0.120, 0.021, 1.244) ( 0.120, 0.021, 1.244) ( 0.00, 0.00, 0.00)
-24 ( 0.020, -0.128, -0.527) ( 0.034, -0.112, -0.520) ( 0.03, 0.20, 0.37)
- bond ( -7.605, 5.610, 5.554) ( -7.601, 5.612, 5.560) ( 0.05, 0.04, 0.10)
- angle ( -1.737, 1.343, 0.082) ( -1.736, 1.343, 0.083) ( 0.06, 0.05, 0.01)
- strbnd ( 0.340, -0.282, -1.073) ( 0.340, -0.282, -1.073) ( 0.00, 0.00, 0.02)
- torsion ( 0.141, 0.176, 0.004) ( 0.142, 0.177, 0.004) ( 0.01, 0.01, 0.00)
- oop ( -0.055, -0.073, -0.001) ( -0.046, -0.061, -0.001) ( 0.05, 0.09, 0.00)
- vdw ( 9.119, -7.021, -4.701) ( 9.119, -7.021, -4.701) ( 0.00, 0.00, 0.00)
- electro ( -0.183, 0.118, -0.392) ( -0.183, 0.118, -0.392) ( 0.00, 0.00, 0.00)
-25 ( 0.159, 0.213, 0.583) ( 0.143, 0.190, 0.589) ( 0.26, 0.50, 0.38)
- bond (-11.078, 8.736, -4.694) (-11.074, 8.738, -4.688) ( 0.03, 0.02, 0.12)
- angle ( 1.300, -0.887, -3.803) ( 1.301, -0.886, -3.801) ( 0.08, 0.06, 0.05)
- strbnd ( 1.316, -0.991, 0.244) ( 1.316, -0.991, 0.244) ( 0.01, 0.01, 0.00)
- torsion ( -0.076, -0.091, 0.002) ( -0.076, -0.090, 0.002) ( 0.00, 0.01, 0.00)
- oop ( 0.140, 0.179, 0.005) ( 0.119, 0.152, 0.004) ( 0.30, 0.49, 0.00)
- vdw ( 8.950, -6.944, 9.005) ( 8.950, -6.943, 9.005) ( 0.00, 0.00, 0.00)
- electro ( -0.393, 0.211, -0.176) ( -0.393, 0.211, -0.176) ( 0.00, 0.00, 0.00)
-26 ( 0.084, 0.183, -0.225) ( 0.142, 0.255, -0.217) ( 0.48, 1.32, 0.18)
- bond ( -0.944, 0.846, -18.247) ( -0.940, 0.848, -18.243) ( 0.30, 0.17, 0.02)
- angle ( 7.126, -5.296, 3.718) ( 7.127, -5.296, 3.720) ( 0.01, 0.01, 0.05)
- strbnd ( -7.430, 5.904, 0.945) ( -7.430, 5.904, 0.944) ( 0.00, 0.00, 0.05)
- torsion ( -0.866, -1.152, -0.063) ( -0.866, -1.152, -0.063) ( 0.03, 0.06, 0.00)
- oop ( -0.313, -0.407, -0.015) ( -0.261, -0.338, -0.012) ( 1.66, 2.81, 0.00)
- vdw ( 3.069, -0.873, 13.253) ( 3.069, -0.873, 13.253) ( 0.00, 0.00, 0.00)
- electro ( -0.557, 1.161, 0.184) ( -0.557, 1.161, 0.184) ( 0.00, 0.00, 0.00)
-27 ( -0.315, -0.428, 0.139) ( -0.314, -0.427, 0.141) ( 0.05, 0.03, 0.03)
- bond ( 2.446, -1.770, 2.501) ( 2.447, -1.769, 2.503) ( 0.06, 0.04, 0.06)
- angle ( -1.543, 1.181, 2.343) ( -1.543, 1.181, 2.344) ( 0.01, 0.01, 0.02)
- strbnd ( -1.339, 0.977, -0.789) ( -1.339, 0.977, -0.789) ( 0.00, 0.00, 0.00)
- torsion ( 0.988, 1.336, -0.022) ( 0.988, 1.336, -0.022) ( 0.01, 0.02, 0.00)
- oop ( 0.002, 0.003, -0.000) ( 0.002, 0.002, -0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.259, -2.708, -3.410) ( 1.260, -2.708, -3.410) ( 0.00, 0.00, 0.00)
- electro ( -2.129, 0.554, -0.484) ( -2.129, 0.554, -0.484) ( 0.00, 0.00, 0.00)
-28 ( 0.161, 0.473, -0.074) ( 0.162, 0.473, -0.072) ( 0.01, 0.00, 0.01)
- bond ( -1.791, 1.438, -1.751) ( -1.790, 1.439, -1.750) ( 0.08, 0.07, 0.08)
- angle ( -0.694, 0.523, 1.139) ( -0.694, 0.523, 1.139) ( 0.01, 0.00, 0.04)
- strbnd ( 0.572, -0.470, 0.906) ( 0.572, -0.470, 0.906) ( 0.00, 0.00, 0.00)
- torsion ( 0.222, 0.282, 0.005) ( 0.222, 0.283, 0.005) ( 0.00, 0.01, 0.00)
- oop ( 0.006, 0.008, 0.000) ( 0.005, 0.007, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 2.510, -1.901, -1.427) ( 2.510, -1.901, -1.427) ( 0.00, 0.00, 0.00)
- electro ( -0.665, 0.593, 1.054) ( -0.665, 0.593, 1.054) ( 0.00, 0.00, 0.00)
-29 ( 0.385, 0.558, 0.067) ( 0.367, 0.535, 0.068) ( 0.68, 1.30, 0.01)
- bond ( 0.302, -0.086, -3.852) ( 0.302, -0.086, -3.850) ( 0.00, 0.00, 0.06)
- angle ( -6.191, 4.765, -0.593) ( -6.191, 4.765, -0.593) ( 0.00, 0.00, 0.00)
- strbnd ( 0.076, 0.015, -2.804) ( 0.076, 0.015, -2.804) ( 0.00, 0.00, 0.00)
- torsion ( 0.648, 0.848, 0.032) ( 0.648, 0.848, 0.032) ( 0.00, 0.01, 0.00)
- oop ( 0.111, 0.143, 0.005) ( 0.093, 0.120, 0.005) ( 0.20, 0.34, 0.00)
- vdw ( 5.741, -5.031, 8.170) ( 5.741, -5.031, 8.171) ( 0.00, 0.00, 0.00)
- electro ( -0.302, -0.096, -0.891) ( -0.302, -0.096, -0.891) ( 0.00, 0.00, 0.00)
-30 ( -0.388, -0.464, -0.137) ( -0.390, -0.467, -0.134) ( 0.06, 0.11, 0.05)
- bond ( -0.285, 0.192, 2.526) ( -0.284, 0.192, 2.529) ( 0.00, 0.00, 0.15)
- angle ( 0.191, -0.141, 0.032) ( 0.191, -0.141, 0.032) ( 0.01, 0.00, 0.00)
- strbnd ( -0.092, 0.073, -0.831) ( -0.092, 0.073, -0.831) ( 0.00, 0.00, 0.00)
- torsion ( -0.351, -0.466, -0.004) ( -0.351, -0.466, -0.004) ( 0.00, 0.01, 0.00)
- oop ( 0.013, 0.017, 0.000) ( 0.011, 0.014, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.124, -0.078, -0.755) ( 0.124, -0.078, -0.755) ( 0.00, 0.00, 0.00)
- electro ( 0.011, -0.061, -1.105) ( 0.011, -0.061, -1.105) ( 0.00, 0.00, 0.00)
-31 ( -0.193, 0.021, 0.101) ( -0.196, 0.016, 0.102) ( 0.05, 0.01, 0.01)
- bond ( -1.807, 1.366, 0.917) ( -1.805, 1.368, 0.917) ( 0.11, 0.09, 0.05)
- angle ( 0.005, 0.002, 0.007) ( 0.005, 0.002, 0.008) ( 0.00, 0.00, 0.00)
- strbnd ( 0.452, -0.351, -0.140) ( 0.452, -0.351, -0.140) ( 0.00, 0.00, 0.00)
- torsion ( -0.111, -0.144, -0.004) ( -0.110, -0.143, -0.004) ( 0.00, 0.00, 0.00)
- oop ( 0.028, 0.036, 0.000) ( 0.023, 0.030, 0.000) ( 0.01, 0.02, 0.00)
- vdw ( 0.558, -0.417, -0.304) ( 0.558, -0.417, -0.304) ( 0.00, 0.00, 0.00)
- electro ( 0.682, -0.472, -0.376) ( 0.682, -0.472, -0.376) ( 0.00, 0.00, 0.00)
-32 ( -0.425, -0.505, -0.048) ( -0.365, -0.520, -0.079) ( 2.55, 0.73, 0.15)
- bond ( -5.280, -7.572, -4.556) ( -5.277, -7.567, -4.554) ( 0.05, 0.06, 0.04)
- angle ( -0.110, 0.279, -0.337) ( -0.110, 0.279, -0.337) ( 0.00, 0.01, 0.02)
- strbnd ( 1.293, 1.229, 1.466) ( 1.293, 1.229, 1.466) ( 0.00, 0.01, 0.01)
- torsion ( 1.739, -0.595, -1.027) ( 1.739, -0.595, -1.027) ( 0.00, 0.00, 0.00)
- oop ( -0.260, 0.090, 0.151) ( -0.202, 0.070, 0.118) ( 1.49, 0.18, 0.50)
- vdw ( 4.932, 0.142, 8.178) ( 4.933, 0.142, 8.178) ( 0.00, 0.00, 0.00)
- electro ( -2.741, 5.922, -3.924) ( -2.741, 5.922, -3.924) ( 0.00, 0.00, 0.00)
-33 ( 0.059, 0.082, -0.083) ( 0.093, 0.076, -0.098) ( 0.20, 0.05, 0.12)
- bond ( 4.715, 4.557, 6.062) ( 4.716, 4.560, 6.065) ( 0.02, 0.07, 0.06)
- angle ( -7.689, -18.240, -5.025) ( -7.688, -18.238, -5.024) ( 0.01, 0.01, 0.01)
- strbnd ( 3.295, -2.419, 7.181) ( 3.295, -2.419, 7.181) ( 0.00, 0.01, 0.00)
- torsion ( -1.716, 0.412, 0.834) ( -1.716, 0.412, 0.834) ( 0.01, 0.00, 0.00)
- oop ( -0.210, 0.072, 0.121) ( -0.178, 0.061, 0.103) ( 0.68, 0.08, 0.23)
- vdw ( 1.937, 10.751, -6.247) ( 1.938, 10.752, -6.247) ( 0.00, 0.00, 0.00)
- electro ( -0.274, 4.948, -3.009) ( -0.274, 4.948, -3.009) ( 0.00, 0.00, 0.00)
-34 ( 0.389, 0.093, 0.080) ( 0.395, 0.098, 0.086) ( 0.24, 0.05, 0.05)
- bond ( -0.334, -4.761, 2.356) ( -0.329, -4.757, 2.361) ( 0.15, 0.10, 0.19)
- angle ( 0.189, 3.946, 0.226) ( 0.190, 3.948, 0.228) ( 0.03, 0.05, 0.04)
- strbnd ( 0.552, 0.973, 0.402) ( 0.551, 0.972, 0.402) ( 0.02, 0.16, 0.02)
- torsion ( 1.469, -0.111, -0.152) ( 1.469, -0.111, -0.152) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -3.779, 1.527, -7.078) ( -3.779, 1.527, -7.078) ( 0.00, 0.00, 0.00)
- electro ( 2.292, -1.482, 4.326) ( 2.292, -1.482, 4.326) ( 0.00, 0.00, 0.00)
-35 ( 0.303, 0.212, 0.053) ( 0.304, 0.213, 0.055) ( 0.04, 0.01, 0.01)
- bond ( 0.249, 0.013, 0.448) ( 0.250, 0.013, 0.451) ( 0.02, 0.00, 0.12)
- angle ( 0.291, 0.661, -0.181) ( 0.291, 0.662, -0.181) ( 0.01, 0.04, 0.00)
- strbnd ( -0.215, -0.451, -0.159) ( -0.215, -0.451, -0.159) ( 0.00, 0.00, 0.00)
- torsion ( 0.017, -0.004, -0.009) ( 0.017, -0.004, -0.009) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.039, -0.007, -0.046) ( -0.039, -0.007, -0.046) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-36 ( 0.432, 0.172, 0.118) ( 0.434, 0.174, 0.120) ( 0.05, 0.03, 0.02)
- bond ( 0.425, -0.592, -0.547) ( 0.425, -0.590, -0.545) ( 0.03, 0.08, 0.07)
- angle ( 1.840, -0.935, 2.446) ( 1.841, -0.935, 2.446) ( 0.02, 0.03, 0.01)
- strbnd ( 0.155, -0.679, -0.026) ( 0.155, -0.679, -0.026) ( 0.00, 0.00, 0.00)
- torsion ( -0.272, -0.056, -0.151) ( -0.272, -0.056, -0.151) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -1.715, 2.434, -1.604) ( -1.715, 2.434, -1.604) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-37 ( 0.355, -0.026, 0.062) ( 0.358, -0.025, 0.062) ( 0.11, 0.00, 0.00)
- bond ( -0.517, -0.155, 0.092) ( -0.514, -0.155, 0.092) ( 0.16, 0.00, 0.00)
- angle ( 0.968, -1.352, 3.151) ( 0.969, -1.351, 3.152) ( 0.01, 0.04, 0.01)
- strbnd ( -0.412, -0.566, 0.270) ( -0.412, -0.566, 0.270) ( 0.00, 0.00, 0.00)
- torsion ( -0.011, -0.098, -0.229) ( -0.011, -0.098, -0.229) ( 0.00, 0.00, 0.00)
- oop ( -0.000, 0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.326, 2.145, -3.222) ( 0.326, 2.145, -3.222) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-ok 26 # gradients
-ok 27 # energy
-----------------------------------------------------------------------------------------
-
- VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
-
-
-ATOM IDX NUMERICAL GRADIENT ANALYTICAL GRADIENT REL. ERROR (%)
-----------------------------------------------------------------------------------------
- 1 ( -0.595, 0.676, -0.223) ( -0.647, 0.628, 0.039) ( 3.09, 3.19, 5.85)
- bond ( 7.276, 5.385, 2.590) ( 7.281, 5.390, 2.590) ( 0.07, 0.10, 0.02)
- angle ( 4.901, -5.978, 0.229) ( 4.902, -5.976, 0.230) ( 0.04, 0.03, 0.01)
- strbnd ( -0.020, -1.711, -0.647) ( -0.020, -1.711, -0.647) ( 0.00, 0.01, 0.00)
- torsion ( -0.151, -0.425, 0.365) ( -0.151, -0.425, 0.366) ( 0.00, 0.00, 0.03)
- oop ( 0.345, 0.325, -1.540) ( 0.287, 0.270, -1.280) ( 2.03, 1.76, 16.87)
- vdw (-14.890, 2.733, -1.371) (-14.889, 2.733, -1.371) ( 0.00, 0.00, 0.00)
- electro ( 1.944, 0.348, 0.151) ( 1.944, 0.348, 0.151) ( 0.00, 0.00, 0.00)
- 2 ( 0.243, -0.582, 0.489) ( 0.380, -0.465, -0.033) ( 3.33, 6.81, 25.52)
- bond ( 8.112, -21.040, -1.715) ( 8.117, -21.034, -1.714) ( 0.06, 0.03, 0.04)
- angle ( -1.169, 7.194, -15.182) ( -1.167, 7.196, -15.182) ( 0.15, 0.03, 0.00)
- strbnd ( -2.863, 15.068, 3.232) ( -2.863, 15.068, 3.232) ( 0.01, 0.01, 0.00)
- torsion ( -0.342, -0.574, 3.648) ( -0.342, -0.574, 3.649) ( 0.00, 0.00, 0.03)
- oop ( -0.793, -0.680, 3.202) ( -0.663, -0.570, 2.678) (10.36, 7.47, 16.36)
- vdw ( -2.909, 0.463, 7.531) ( -2.909, 0.463, 7.531) ( 0.00, 0.01, 0.00)
- electro ( 0.206, -1.014, -0.227) ( 0.206, -1.014, -0.227) ( 0.00, 0.00, 0.00)
- 3 ( -0.763, 1.187, -0.035) ( -0.848, 1.119, 0.325) ( 6.49, 5.73, 1.25)
- bond ( -9.190, -3.608, -3.894) ( -9.185, -3.603, -3.893) ( 0.05, 0.14, 0.02)
- angle ( -1.891, 2.042, 2.324) ( -1.889, 2.043, 2.324) ( 0.09, 0.09, 0.02)
- strbnd ( 1.681, -6.510, -1.289) ( 1.680, -6.510, -1.289) ( 0.02, 0.00, 0.00)
- torsion ( 0.497, 0.356, -1.699) ( 0.498, 0.356, -1.698) ( 0.00, 0.00, 0.05)
- oop ( 0.546, 0.446, -2.107) ( 0.455, 0.371, -1.749) ( 5.00, 3.33, 16.96)
- vdw ( 9.870, 8.310, 7.295) ( 9.870, 8.311, 7.295) ( 0.00, 0.00, 0.00)
- electro ( -2.277, 0.151, -0.665) ( -2.277, 0.151, -0.665) ( 0.00, 0.00, 0.00)
- 4 ( 1.476, -1.408, -0.324) ( 1.484, -1.398, -0.333) ( 0.57, 0.66, 0.29)
- bond ( -9.024, 1.819, -2.154) ( -9.020, 1.825, -2.154) ( 0.05, 0.29, 0.03)
- angle ( -3.381, -7.942, -3.027) ( -3.379, -7.940, -3.027) ( 0.06, 0.02, 0.02)
- strbnd ( 0.700, 12.247, 3.116) ( 0.700, 12.246, 3.116) ( 0.01, 0.00, 0.00)
- torsion ( 0.035, 0.371, 0.858) ( 0.035, 0.371, 0.859) ( 0.00, 0.00, 0.07)
- oop ( -0.017, -0.017, 0.081) ( -0.015, -0.014, 0.070) ( 0.00, 0.00, 0.09)
- vdw ( 11.765, -8.172, 0.917) ( 11.765, -8.172, 0.917) ( 0.00, 0.00, 0.00)
- electro ( 1.398, 0.286, -0.115) ( 1.398, 0.286, -0.115) ( 0.00, 0.00, 0.00)
- 5 ( -7.232, 4.097, 0.766) ( -7.223, 4.103, 0.756) ( 0.13, 0.16, 0.75)
- bond ( 0.599, 18.391, 5.068) ( 0.604, 18.393, 5.069) ( 0.30, 0.01, 0.01)
- angle ( -2.567, -4.844, -1.977) ( -2.566, -4.842, -1.977) ( 0.01, 0.04, 0.00)
- strbnd ( 0.126, -3.607, -0.716) ( 0.126, -3.607, -0.716) ( 0.01, 0.00, 0.01)
- torsion ( -0.412, -0.447, 1.649) ( -0.412, -0.447, 1.650) ( 0.00, 0.00, 0.04)
- oop ( -0.023, -0.020, 0.080) ( -0.020, -0.017, 0.069) ( 0.01, 0.01, 0.09)
- vdw ( -3.582, -7.643, -2.794) ( -3.582, -7.643, -2.794) ( 0.00, 0.00, 0.00)
- electro ( -1.373, 2.267, -0.544) ( -1.373, 2.267, -0.544) ( 0.00, 0.00, 0.00)
- 6 ( 1.194, -0.710, -0.021) ( 1.214, -0.689, -0.081) ( 1.75, 1.54, 0.13)
- bond ( 10.729, -1.010, 2.254) ( 10.734, -1.004, 2.255) ( 0.05, 0.56, 0.03)
- angle ( 1.143, 3.497, 1.367) ( 1.144, 3.499, 1.367) ( 0.15, 0.05, 0.02)
- strbnd ( -2.517, 7.619, 1.196) ( -2.517, 7.618, 1.196) ( 0.00, 0.01, 0.00)
- torsion ( 0.159, 0.163, -0.520) ( 0.159, 0.163, -0.519) ( 0.00, 0.00, 0.05)
- oop ( -0.086, -0.090, 0.386) ( -0.072, -0.076, 0.324) ( 0.12, 0.13, 2.38)
- vdw ( -7.659, -11.450, -4.951) ( -7.659, -11.450, -4.951) ( 0.00, 0.00, 0.00)
- electro ( -0.575, 0.560, 0.247) ( -0.575, 0.560, 0.247) ( 0.00, 0.00, 0.00)
- 7 ( 0.327, -3.127, -0.353) ( 0.337, -3.117, -0.367) ( 0.32, 0.34, 0.51)
- bond ( -9.535, 2.023, 0.064) ( -9.531, 2.028, 0.068) ( 0.04, 0.21, 0.02)
- angle ( 7.090, 1.853, 9.392) ( 7.092, 1.855, 9.394) ( 0.03, 0.11, 0.02)
- strbnd ( 2.802, 2.634, -5.055) ( 2.801, 2.634, -5.056) ( 0.04, 0.01, 0.03)
- torsion ( -1.902, -1.148, -3.686) ( -1.902, -1.148, -3.686) ( 0.00, 0.00, 0.00)
- oop ( -0.031, -0.029, 0.121) ( -0.026, -0.025, 0.103) ( 0.02, 0.01, 0.23)
- vdw ( 0.111, -4.681, -1.119) ( 0.111, -4.681, -1.119) ( 0.00, 0.00, 0.00)
- electro ( 1.794, -3.780, -0.070) ( 1.794, -3.780, -0.070) ( 0.00, 0.00, 0.00)
- 8 ( -0.966, 1.382, 0.070) ( -0.996, 1.356, 0.203) ( 2.96, 1.82, 0.93)
- bond ( 1.366, 7.925, -6.059) ( 1.366, 7.930, -6.057) ( 0.03, 0.06, 0.04)
- angle ( -4.971, 2.924, 18.703) ( -4.970, 2.924, 18.704) ( 0.02, 0.01, 0.00)
- strbnd ( 6.002, -13.364, -10.233) ( 6.002, -13.364, -10.234) ( 0.00, 0.00, 0.00)
- torsion ( -1.754, -0.117, -1.236) ( -1.754, -0.117, -1.236) ( 0.00, 0.00, 0.01)
- oop ( 0.204, 0.195, -0.836) ( 0.172, 0.164, -0.706) ( 0.66, 0.59, 10.89)
- vdw ( -1.863, 4.959, -0.269) ( -1.863, 4.959, -0.269) ( 0.01, 0.00, 0.00)
- electro ( 0.051, -1.139, 0.000) ( 0.051, -1.139, 0.000) ( 0.00, 0.00, 0.00)
- 9 ( 0.472, -1.055, -0.032) ( 0.477, -1.049, -0.027) ( 0.27, 0.54, 0.02)
- bond ( -1.279, -5.277, 4.593) ( -1.274, -5.273, 4.598) ( 0.36, 0.08, 0.10)
- angle ( 2.902, 2.092, -7.874) ( 2.904, 2.094, -7.872) ( 0.05, 0.09, 0.03)
- strbnd ( -1.490, -4.290, 5.538) ( -1.491, -4.290, 5.537) ( 0.03, 0.02, 0.02)
- torsion ( 1.310, 0.148, 0.500) ( 1.310, 0.148, 0.500) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -1.133, 6.426, -2.475) ( -1.133, 6.427, -2.475) ( 0.00, 0.00, 0.00)
- electro ( 0.161, -0.154, -0.314) ( 0.161, -0.154, -0.314) ( 0.00, 0.00, 0.00)
-10 ( 0.385, -1.062, -0.159) ( 0.412, -1.037, -0.241) ( 1.03, 2.28, 1.31)
- bond ( -8.551, -5.303, -3.605) ( -8.546, -5.298, -3.601) ( 0.05, 0.08, 0.13)
- angle ( 8.575, 4.295, 4.735) ( 8.577, 4.297, 4.737) ( 0.02, 0.04, 0.03)
- strbnd ( -3.559, -3.043, -2.147) ( -3.560, -3.043, -2.147) ( 0.03, 0.02, 0.02)
- torsion ( 0.442, 0.421, -1.896) ( 0.442, 0.421, -1.895) ( 0.00, 0.00, 0.01)
- oop ( -0.113, -0.097, 0.463) ( -0.092, -0.078, 0.375) ( 0.24, 0.18, 4.06)
- vdw ( 3.911, 2.676, 2.455) ( 3.911, 2.676, 2.455) ( 0.00, 0.00, 0.00)
- electro ( -0.320, -0.012, -0.165) ( -0.320, -0.012, -0.165) ( 0.00, 0.00, 0.00)
-11 ( 0.541, -0.368, -0.055) ( 0.555, -0.353, -0.089) ( 0.77, 0.55, 0.19)
- bond ( 5.504, -2.491, 1.129) ( 5.508, -2.486, 1.133) ( 0.08, 0.18, 0.40)
- angle ( -6.722, 2.765, 0.097) ( -6.721, 2.767, 0.099) ( 0.03, 0.07, 0.01)
- strbnd ( 4.737, -1.045, 0.544) ( 4.736, -1.046, 0.544) ( 0.02, 0.05, 0.02)
- torsion ( 0.823, 1.626, -1.528) ( 0.823, 1.626, -1.527) ( 0.00, 0.00, 0.01)
- oop ( -0.047, -0.047, 0.210) ( -0.038, -0.038, 0.170) ( 0.04, 0.04, 0.84)
- vdw ( -4.511, -1.279, -1.089) ( -4.511, -1.278, -1.089) ( 0.00, 0.00, 0.00)
- electro ( 0.757, 0.104, 0.581) ( 0.757, 0.104, 0.581) ( 0.00, 0.00, 0.00)
-12 ( 0.752, -10.437, 1.848) ( 0.765, -10.435, 1.820) ( 0.95, 0.03, 1.51)
- bond ( -2.163, -10.908, 1.525) ( -2.156, -10.902, 1.525) ( 0.33, 0.05, 0.02)
- angle ( 7.340, -14.819, 2.943) ( 7.342, -14.817, 2.943) ( 0.03, 0.02, 0.00)
- strbnd ( 1.090, 1.959, -0.206) ( 1.090, 1.958, -0.206) ( 0.04, 0.07, 0.00)
- torsion ( 0.003, -0.004, -0.043) ( 0.003, -0.003, -0.041) ( 0.00, 0.00, 0.01)
- oop ( -0.016, 0.021, 0.139) ( -0.012, 0.017, 0.109) ( 0.01, 0.01, 0.42)
- vdw ( -5.550, 14.354, -2.772) ( -5.550, 14.354, -2.772) ( 0.00, 0.00, 0.00)
- electro ( 0.047, -1.041, 0.262) ( 0.047, -1.041, 0.262) ( 0.00, 0.00, 0.00)
-13 ( 2.757, -5.629, 1.087) ( 2.764, -5.622, 1.091) ( 0.25, 0.13, 0.32)
- bond ( -5.590, -19.311, 2.388) ( -5.585, -19.306, 2.388) ( 0.10, 0.03, 0.01)
- angle ( -2.512, 1.805, -0.566) ( -2.510, 1.807, -0.566) ( 0.06, 0.10, 0.00)
- strbnd ( 3.165, 3.520, -0.196) ( 3.165, 3.520, -0.196) ( 0.01, 0.01, 0.00)
- torsion ( 0.011, -0.018, -0.109) ( 0.011, -0.018, -0.108) ( 0.00, 0.00, 0.02)
- oop ( -0.000, -0.000, -0.000) ( -0.000, 0.000, 0.002) ( 0.00, 0.00, 0.00)
- vdw ( 7.287, 7.764, -0.420) ( 7.287, 7.764, -0.420) ( 0.00, 0.00, 0.00)
- electro ( 0.396, 0.611, -0.010) ( 0.396, 0.611, -0.010) ( 0.00, 0.00, 0.00)
-14 ( -1.335, -2.141, 0.084) ( -1.328, -2.134, 0.089) ( 0.50, 0.31, 0.04)
- bond (-18.782, -2.708, -1.626) (-18.776, -2.703, -1.625) ( 0.03, 0.18, 0.02)
- angle ( 1.613, 0.543, 0.108) ( 1.615, 0.545, 0.108) ( 0.10, 0.08, 0.00)
- strbnd ( 0.794, 1.342, -0.132) ( 0.794, 1.342, -0.132) ( 0.01, 0.02, 0.00)
- torsion ( 0.006, -0.009, -0.062) ( 0.006, -0.009, -0.061) ( 0.00, 0.00, 0.01)
- oop ( 0.002, -0.002, -0.016) ( 0.001, -0.002, -0.013) ( 0.00, 0.00, 0.00)
- vdw ( 15.838, -1.596, 1.914) ( 15.838, -1.596, 1.914) ( 0.00, 0.00, 0.00)
- electro ( -0.806, 0.290, -0.101) ( -0.806, 0.290, -0.101) ( 0.00, 0.00, 0.00)
-15 ( 3.031, -0.230, 0.341) ( 3.037, -0.223, 0.340) ( 0.22, 0.15, 0.03)
- bond ( -3.294, 18.549, -3.151) ( -3.288, 18.554, -3.151) ( 0.15, 0.03, 0.01)
- angle ( 0.378, -2.944, 0.489) ( 0.379, -2.943, 0.489) ( 0.06, 0.05, 0.00)
- strbnd ( -1.098, -1.073, 0.051) ( -1.098, -1.073, 0.051) ( 0.02, 0.02, 0.00)
- torsion ( 0.011, -0.016, -0.110) ( 0.011, -0.016, -0.109) ( 0.00, 0.00, 0.01)
- oop ( -0.002, 0.002, 0.015) ( -0.001, 0.002, 0.012) ( 0.00, 0.00, 0.00)
- vdw ( 6.009, -14.658, 2.893) ( 6.009, -14.658, 2.893) ( 0.00, 0.00, 0.00)
- electro ( 1.026, -0.090, 0.154) ( 1.026, -0.090, 0.154) ( 0.00, 0.00, 0.00)
-16 ( 12.370, 1.930, 0.944) ( 12.375, 1.941, 0.966) ( 0.04, 0.55, 2.13)
- bond ( 19.213, 6.717, 1.018) ( 19.218, 6.723, 1.018) ( 0.03, 0.09, 0.03)
- angle ( 2.973, 5.082, -0.490) ( 2.974, 5.083, -0.490) ( 0.05, 0.03, 0.00)
- strbnd ( -3.945, -1.731, -0.147) ( -3.945, -1.731, -0.147) ( 0.01, 0.02, 0.00)
- torsion ( 0.003, -0.013, -0.075) ( 0.003, -0.013, -0.074) ( 0.00, 0.00, 0.01)
- oop ( 0.006, -0.010, -0.064) ( 0.004, -0.007, -0.043) ( 0.00, 0.00, 0.13)
- vdw ( -5.726, -9.344, 0.835) ( -5.726, -9.344, 0.835) ( 0.00, 0.00, 0.00)
- electro ( -0.154, 1.229, -0.132) ( -0.154, 1.229, -0.132) ( 0.00, 0.00, 0.00)
-17 (-13.450, 41.014, -7.667) (-13.439, 41.016, -7.711) ( 0.08, 0.00, 0.58)
- bond ( 7.284, 9.618, -0.698) ( 7.289, 9.625, -0.697) ( 0.07, 0.07, 0.02)
- angle ( -5.871, 33.585, -5.632) ( -5.869, 33.587, -5.631) ( 0.04, 0.01, 0.00)
- strbnd ( 1.328, -2.439, 0.465) ( 1.328, -2.439, 0.465) ( 0.05, 0.01, 0.00)
- torsion ( 0.017, -0.014, -0.098) ( 0.017, -0.014, -0.097) ( 0.00, 0.00, 0.02)
- oop ( -0.021, 0.034, 0.221) ( -0.016, 0.026, 0.174) ( 0.01, 0.02, 1.03)
- vdw (-15.787, 1.374, -1.831) (-15.786, 1.374, -1.831) ( 0.00, 0.00, 0.00)
- electro ( -0.402, -1.143, -0.094) ( -0.402, -1.143, -0.094) ( 0.00, 0.00, 0.00)
-18 ( 44.261, -1.248, 2.232) ( 44.256, -1.222, 2.354) ( 0.01, 2.10, 5.48)
- bond ( 18.720, 10.029, 0.469) ( 18.726, 10.037, 0.469) ( 0.03, 0.07, 0.01)
- angle ( 2.437, -10.834, 1.649) ( 2.439, -10.831, 1.649) ( 0.09, 0.02, 0.01)
- strbnd ( 18.165, 8.848, 0.274) ( 18.163, 8.848, 0.274) ( 0.01, 0.00, 0.00)
- torsion ( -0.089, 0.096, 0.587) ( -0.089, 0.096, 0.588) ( 0.00, 0.00, 0.06)
- oop ( 0.077, -0.115, -0.815) ( 0.065, -0.099, -0.694) ( 0.10, 0.19, 9.85)
- vdw ( 5.264, -9.676, 0.160) ( 5.264, -9.676, 0.160) ( 0.00, 0.00, 0.00)
- electro ( -0.312, 0.403, -0.093) ( -0.312, 0.403, -0.093) ( 0.00, 0.00, 0.00)
-19 ( 68.488, 18.064, -0.270) ( 68.513, 18.028, -0.566) ( 0.04, 0.20, 8.00)
- bond (-11.492, -18.306, 1.768) (-11.486, -18.298, 1.768) ( 0.05, 0.04, 0.01)
- angle (101.652, 48.540, 2.493) (101.655, 48.542, 2.493) ( 0.00, 0.00, 0.00)
- strbnd (-24.853, -12.078, -0.240) (-24.854, -12.079, -0.240) ( 0.00, 0.01, 0.00)
- torsion ( 0.472, -0.098, -2.127) ( 0.472, -0.098, -2.127) ( 0.00, 0.00, 0.03)
- oop ( -0.075, 0.149, 1.013) ( -0.056, 0.104, 0.715) ( 0.14, 0.66, 29.40)
- vdw ( 3.529, 0.033, -3.379) ( 3.529, 0.033, -3.379) ( 0.00, 0.00, 0.00)
- electro ( -0.746, -0.175, 0.203) ( -0.746, -0.175, 0.203) ( 0.00, 0.00, 0.00)
-20 (-65.552, 0.344, -2.838) (-65.559, 0.376, -2.670) ( 0.01, 1.10, 5.94)
- bond ( 7.165, 11.748, -1.102) ( 7.168, 11.754, -1.101) ( 0.04, 0.05, 0.02)
- angle (-70.683, -26.242, -1.391) (-70.681, -26.241, -1.391) ( 0.00, 0.00, 0.02)
- strbnd ( -3.515, 15.582, -2.659) ( -3.515, 15.582, -2.659) ( 0.01, 0.00, 0.00)
- torsion ( -0.115, 0.289, 1.930) ( -0.115, 0.289, 1.931) ( 0.00, 0.00, 0.03)
- oop ( 0.033, -0.067, -0.441) ( 0.022, -0.041, -0.274) ( 0.04, 0.17, 7.41)
- vdw ( 0.077, -0.056, -0.476) ( 0.077, -0.056, -0.476) ( 0.00, 0.00, 0.00)
- electro ( 1.485, -0.911, 1.301) ( 1.485, -0.911, 1.301) ( 0.00, 0.00, 0.00)
-21 (-46.009, -33.491, 1.964) (-46.011, -33.467, 2.085) ( 0.00, 0.07, 6.12)
- bond ( 4.977, 6.420, 0.115) ( 4.980, 6.425, 0.117) ( 0.08, 0.09, 0.02)
- angle (-47.413, -32.158, -7.694) (-47.411, -32.158, -7.693) ( 0.00, 0.00, 0.01)
- strbnd ( 2.563, -7.549, 6.232) ( 2.563, -7.550, 6.232) ( 0.02, 0.00, 0.01)
- torsion ( 2.245, 1.464, 5.606) ( 2.245, 1.464, 5.606) ( 0.00, 0.00, 0.00)
- oop ( 0.019, -0.040, -0.279) ( 0.012, -0.023, -0.161) ( 0.01, 0.07, 3.29)
- vdw ( -3.043, -1.120, -2.528) ( -3.043, -1.120, -2.528) ( 0.01, 0.00, 0.00)
- electro ( -5.357, -0.507, 0.512) ( -5.357, -0.507, 0.512) ( 0.00, 0.00, 0.00)
-22 ( -3.034, 3.423, -0.273) ( -3.032, 3.427, -0.272) ( 0.09, 0.12, 0.01)
- bond ( -4.627, -5.920, -1.055) ( -4.624, -5.916, -1.055) ( 0.05, 0.06, 0.01)
- angle ( -1.279, 0.117, 4.947) ( -1.278, 0.117, 4.948) ( 0.03, 0.00, 0.01)
- strbnd ( -1.175, -1.676, -0.163) ( -1.175, -1.676, -0.163) ( 0.00, 0.01, 0.00)
- torsion ( -0.017, 0.448, -2.440) ( -0.017, 0.448, -2.440) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -5.912, 10.758, -1.469) ( -5.912, 10.758, -1.469) ( 0.00, 0.00, 0.00)
- electro ( 9.975, -0.305, -0.094) ( 9.975, -0.305, -0.094) ( 0.00, 0.00, 0.00)
-23 ( 1.091, -0.357, -0.060) ( 1.092, -0.357, -0.050) ( 0.01, 0.00, 0.06)
- bond ( 1.966, 1.803, 0.870) ( 1.968, 1.804, 0.870) ( 0.09, 0.09, 0.03)
- angle ( -1.373, 1.481, 0.033) ( -1.372, 1.481, 0.033) ( 0.03, 0.03, 0.00)
- strbnd ( 0.378, -0.636, -0.059) ( 0.378, -0.636, -0.059) ( 0.00, 0.00, 0.00)
- torsion ( 0.041, 0.040, -0.176) ( 0.041, 0.040, -0.176) ( 0.00, 0.00, 0.00)
- oop ( 0.014, 0.015, -0.064) ( 0.012, 0.013, -0.054) ( 0.00, 0.00, 0.06)
- vdw ( 0.864, -2.400, -0.448) ( 0.864, -2.400, -0.448) ( 0.00, 0.00, 0.00)
- electro ( -0.799, -0.659, -0.215) ( -0.799, -0.659, -0.215) ( 0.00, 0.00, 0.00)
-24 ( -1.132, -0.023, 0.800) ( -1.131, -0.020, 0.801) ( 0.07, 0.01, 0.05)
- bond ( 0.429, 2.379, -0.283) ( 0.429, 2.383, -0.283) ( 0.00, 0.13, 0.00)
- angle ( 0.284, -0.374, -2.715) ( 0.285, -0.374, -2.714) ( 0.02, 0.00, 0.02)
- strbnd ( -0.744, -0.761, 0.185) ( -0.744, -0.761, 0.185) ( 0.00, 0.00, 0.00)
- torsion ( -0.625, 0.065, -0.401) ( -0.625, 0.065, -0.401) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.476, -1.332, 4.015) ( -0.476, -1.332, 4.015) ( 0.01, 0.00, 0.00)
- electro ( -0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-25 ( -0.216, 0.307, 0.417) ( -0.215, 0.308, 0.419) ( 0.03, 0.03, 0.10)
- bond ( -0.012, -0.007, -0.021) ( -0.011, -0.007, -0.018) ( 0.00, 0.00, 0.00)
- angle ( -1.034, 6.306, -1.664) ( -1.034, 6.306, -1.664) ( 0.04, 0.01, 0.01)
- strbnd ( -0.562, 0.219, 0.095) ( -0.562, 0.219, 0.095) ( 0.00, 0.00, 0.00)
- torsion ( -0.037, -1.134, 0.433) ( -0.037, -1.134, 0.433) ( 0.00, 0.00, 0.00)
- oop ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.429, -5.077, 1.574) ( 1.429, -5.077, 1.574) ( 0.00, 0.00, 0.00)
- electro ( -0.000, 0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-26 ( -0.284, -0.046, -0.073) ( -0.283, -0.045, -0.071) ( 0.02, 0.01, 0.02)
- bond ( -0.628, 1.336, 2.092) ( -0.627, 1.337, 2.095) ( 0.01, 0.07, 0.11)
- angle ( -0.745, -7.579, 4.614) ( -0.744, -7.579, 4.614) ( 0.03, 0.01, 0.00)
- strbnd ( -0.133, -0.439, 0.449) ( -0.133, -0.439, 0.449) ( 0.00, 0.00, 0.00)
- torsion ( -0.063, 0.000, -0.019) ( -0.063, 0.000, -0.019) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 1.284, 6.636, -7.210) ( 1.284, 6.636, -7.210) ( 0.00, 0.00, 0.00)
- electro ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-27 ( -0.055, 0.024, 0.090) ( -0.053, 0.026, 0.091) ( 0.01, 0.00, 0.01)
- bond ( 0.526, -0.388, 0.144) ( 0.528, -0.387, 0.144) ( 0.11, 0.04, 0.00)
- angle ( 0.050, -0.042, -0.294) ( 0.050, -0.042, -0.294) ( 0.00, 0.00, 0.02)
- strbnd ( -0.519, -0.146, 0.412) ( -0.519, -0.147, 0.412) ( 0.00, 0.00, 0.00)
- torsion ( 0.024, 0.049, 0.043) ( 0.024, 0.049, 0.043) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, 0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( -0.136, 0.552, -0.214) ( -0.136, 0.552, -0.214) ( 0.00, 0.00, 0.00)
- electro ( -0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
-28 ( 0.017, -0.066, -0.165) ( 0.019, -0.065, -0.164) ( 0.00, 0.01, 0.01)
- bond ( -0.618, -0.478, -0.203) ( -0.616, -0.477, -0.203) ( 0.12, 0.06, 0.00)
- angle ( 0.508, -0.622, -0.082) ( 0.508, -0.622, -0.081) ( 0.01, 0.02, 0.00)
- strbnd ( 0.062, -0.250, 0.582) ( 0.062, -0.250, 0.582) ( 0.00, 0.00, 0.00)
- torsion ( 0.032, -0.035, -0.016) ( 0.032, -0.035, -0.016) ( 0.00, 0.00, 0.00)
- oop ( 0.000, -0.000, -0.000) ( 0.000, 0.000, 0.000) ( 0.00, 0.00, 0.00)
- vdw ( 0.032, 1.319, -0.446) ( 0.032, 1.319, -0.446) ( 0.00, 0.00, 0.00)
-159/160 Test #152: pytest_sym .......................***Timeout 1500.12 sec
+159/160 Test #152: pytest_sym .......................***Timeout 1500.18 sec
/build/openbabel-2.4.1+dfsg/scripts/python:/build/openbabel-2.4.1+dfsg/builddir/lib
-160/160 Test #159: pybindtest__pybel ................***Timeout 1500.06 sec
+160/160 Test #159: pybindtest__pybel ................***Timeout 1500.09 sec
/build/openbabel-2.4.1+dfsg/scripts/python:/build/openbabel-2.4.1+dfsg/builddir/lib
97% tests passed, 5 tests failed out of 160
-Total Test time (real) = 1508.47 sec
+Total Test time (real) = 1507.61 sec
The following tests FAILED:
16 - test_builder_1 (Timeout)
@@ -8799,7 +8137,7 @@
Errors while running CTest
make[2]: *** [Makefile:76: test] Error 8
make[2]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-dh_auto_test: cd builddir && make -j15 test ARGS\+=-j15 returned exit code 2
+dh_auto_test: cd builddir && make -j16 test ARGS\+=-j16 returned exit code 2
make[1]: [debian/rules:57: override_dh_auto_test] Error 2 (ignored)
make[1]: Leaving directory '/build/openbabel-2.4.1+dfsg'
create-stamp debian/debhelper-build-stamp
@@ -8808,7 +8146,7 @@
dh_testroot -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dh_prep -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dh_auto_install -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
- cd builddir && make -j15 install DESTDIR=/build/openbabel-2.4.1\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
+ cd builddir && make -j16 install DESTDIR=/build/openbabel-2.4.1\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
make[1]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
/usr/bin/cmake -S/build/openbabel-2.4.1+dfsg -B/build/openbabel-2.4.1+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /build/openbabel-2.4.1+dfsg/builddir/CMakeFiles /build/openbabel-2.4.1+dfsg/builddir/CMakeFiles/progress.marks
@@ -8817,24 +8155,26 @@
make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make -f src/formats/libinchi/CMakeFiles/inchi.dir/build.make src/formats/libinchi/CMakeFiles/inchi.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats/libinchi /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi /build/openbabel-2.4.1+dfsg/builddir/src/formats/libinchi/CMakeFiles/inchi.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/libinchi/CMakeFiles/inchi.dir/build.make src/formats/libinchi/CMakeFiles/inchi.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/libinchi/CMakeFiles/inchi.dir/build.make src/formats/libinchi/CMakeFiles/inchi.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/libinchi/CMakeFiles/inchi.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
[ 8%] Built target inchi
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/CMakeFiles/openbabel.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 22%] Built target openbabel
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/depend
make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/depend
make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color=
make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/depend
make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
@@ -8847,13 +8187,12 @@
make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
+make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_ops.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_forcefields.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src /build/openbabel-2.4.1+dfsg/builddir/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake --color=
@@ -8862,20 +8201,22 @@
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xtcformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/CMakeFiles/plugin_fingerprints.dir/build.make src/CMakeFiles/plugin_fingerprints.dir/build
@@ -8884,20 +8225,22 @@
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
+make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/CMakeFiles/plugin_forcefields.dir/build.make src/CMakeFiles/plugin_forcefields.dir/build
make -f src/CMakeFiles/plugin_descriptors.dir/build.make src/CMakeFiles/plugin_descriptors.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
@@ -8907,7 +8250,7 @@
make[3]: Nothing to be done for 'src/CMakeFiles/plugin_fingerprints.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 23%] Built target plugin_fingerprints
-make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
+make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/xtcformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
@@ -8915,10 +8258,10 @@
make[3]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
@@ -8927,109 +8270,120 @@
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
[ 23%] Built target xtcformat
-make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
-[ 24%] Built target xyzformat
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
-[ 25%] Built target viewmolformat
+[ 24%] Built target xyzformat
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
-[ 25%] Built target yasaraformat
-[ 26%] Built target pdbqtformat
+[ 24%] Built target yasaraformat
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
+[ 25%] Built target viewmolformat
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
-[ 26%] Built target pcmodelformat
+[ 25%] Built target pcmodelformat
+[ 26%] Built target pdbqtformat
+[ 26%] Built target outformat
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
+make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
+make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/CMakeFiles/plugin_forcefields.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
[ 27%] Built target plugin_forcefields
-make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
-[ 27%] Built target chemdrawcdx
-make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
+make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/CMakeFiles/plugin_descriptors.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
+[ 27%] Built target chemdrawcdx
+make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
[ 29%] Built target plugin_descriptors
-make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
+make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
+[ 30%] Built target xmlformat
+make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/xmlformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/cmlreactformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 30%] Built target xmlformat
-make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
-[ 31%] Built target cmlreactformat
-make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
+[ 31%] Built target cmlreactformat
+make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 31%] Built target cmlformat
-make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
+make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/cmlformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
+[ 31%] Built target cmlformat
+make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 31%] Built target outformat
-make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/rsmiformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 31%] Built target opendxformat
+make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
+[ 32%] Built target rsmiformat
+make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 32%] Built target rsmiformat
-make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
@@ -9037,483 +8391,472 @@
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
+make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
-[ 32%] Built target msiformat
-make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 33%] Built target msmsformat
-make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
-[ 33%] Built target mpqcformat
make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
-[ 34%] Built target mpdformat
-make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
-[ 34%] Built target opendxformat
-make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
+[ 33%] Built target msiformat
+make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
+[ 33%] Built target mpqcformat
+make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
+[ 34%] Built target mpdformat
+make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
+[ 34%] Built target pointcloudformat
+make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
+[ 34%] Built target mmcifformat
+make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
-[ 34%] Built target pointcloudformat
-make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
-[ 34%] Built target mmcifformat
-make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
-[ 34%] Built target mdffformat
-make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
+[ 34%] Built target mdffformat
+make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
+[ 34%] Built target xedformat
+make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
+make -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
+[ 35%] Built target lpmdformat
+make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
+make -f src/CMakeFiles/plugin_ops.dir/build.make src/CMakeFiles/plugin_ops.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
-[ 34%] Built target xedformat
-make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
-[ 35%] Built target lpmdformat
-make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
+make -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
+[ 36%] Built target groformat
+make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 36%] Built target groformat
-make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
+[ 36%] Built target gausszmatformat
+make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
+make -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 36%] Built target gausszmatformat
-make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
+make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 36%] Built target rxnformat
-make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
+make -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
[ 36%] Built target gausscubeformat
make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
-[ 36%] Built target daltonformat
-make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
-[ 36%] Built target adfformat
-make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/adfformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 36%] Built target adfformat
+make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/crystal09format.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 37%] Built target asciiformat
-make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
+make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
+[ 36%] Built target rxnformat
+make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 38%] Built target crystal09format
-make -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
+[ 36%] Built target daltonformat
+make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
+[ 37%] Built target crystal09format
make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
-[ 38%] Built target chemkinformat
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
+[ 37%] Built target jaguarformat
make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
+[ 37%] Built target chemkinformat
+make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/asciiformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
-[ 38%] Built target jaguarformat
-make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/aoforceformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 38%] Built target aoforceformat
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
+[ 38%] Built target asciiformat
make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
-[ 39%] Built target cdxmlformat
+[ 38%] Built target aoforceformat
make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
+[ 38%] Built target turbomoleformat
+make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
+make -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
-[ 39%] Built target turbomoleformat
-make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/cdxmlformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/abinitformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 40%] Built target abinitformat
+[ 39%] Built target cdxmlformat
make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/acesformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
-[ 40%] Built target acesformat
+[ 40%] Built target abinitformat
+make -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 40%] Built target alchemyformat
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
+[ 40%] Built target acesformat
make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
-[ 40%] Built target CSRformat
-make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
+make -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pubchem.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake --color=
+[ 41%] Built target pubchem
+make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake --color=
-[ 41%] Built target pubchem
-make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
-[ 41%] Built target pdbformat
-make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
+[ 41%] Built target alchemyformat
+make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/CSRformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
-[ 41%] Built target smilesformat
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/pdbformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
+[ 41%] Built target CSRformat
+make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
+[ 41%] Built target pdbformat
make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 42%] Built target painterformat
-make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
-[ 43%] Built target smileyformat
-make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/povrayformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/painterformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/smilesformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
-[ 44%] Built target povrayformat
+[ 42%] Built target povrayformat
+make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
+[ 43%] Built target painterformat
+make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
+[ 43%] Built target xsfformat
make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
-[ 44%] Built target shelxformat
+[ 43%] Built target shelxformat
make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
+[ 43%] Built target smilesformat
+make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
+[ 44%] Built target smileyformat
+make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 44%] Built target xsfformat
-make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/CMakeFiles/plugin_charges.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
[ 45%] Built target plugin_charges
-make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
+make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
-[ 50%] Built target plugin_ops
-make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
+make -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
+make -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
+[ 45%] Built target posformat
+make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/CMakeFiles/plugin_ops.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 50%] Built target posformat
-make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 50%] Built target lmpdatformat
+make -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
+[ 50%] Built target plugin_ops
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
-[ 50%] Built target fastsearchformat
-make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
+[ 50%] Built target lmpdatformat
+make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
+make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mdlformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
-[ 50%] Built target thermoformat
+make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
+[ 50%] Built target fastsearchformat
make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
[ 51%] Built target mdlformat
make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/inchiformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
[ 52%] Built target inchiformat
make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
-[ 52%] Built target gulpformat
-make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
-[ 52%] Built target mmodformat
-make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/nulformat.dir/build.make src/formats/CMakeFiles/nulformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/mol2format.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
-[ 53%] Built target mol2format
-make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
+[ 52%] Built target thermoformat
+make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
+[ 52%] Built target gulpformat
+make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/mol2format.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
-[ 53%] Built target MNAformat
-make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/MNAformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 53%] Built target nulformat
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 52%] Built target mmodformat
+make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
+[ 53%] Built target mol2format
+make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
+[ 53%] Built target MNAformat
make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
+make -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
[ 53%] Built target balstformat
make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/nulformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
[ 53%] Built target dmolformat
make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
-[ 53%] Built target png2format
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
+[ 53%] Built target nulformat
make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
+make -f src/formats/CMakeFiles/molreport.dir/build.make src/formats/CMakeFiles/molreport.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color=
-[ 54%] Built target castepformat
-make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/png2format.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
+[ 53%] Built target png2format
+make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/castepformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 54%] Built target castepformat
+make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gamessukformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
+make -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
[ 55%] Built target gamessukformat
-make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
+make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 56%] Built target fpsformat
-make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
+[ 56%] Built target fpsformat
+make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
@@ -9521,425 +8864,411 @@
make[3]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/APIInterface.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 56%] Built target gamessformat
-make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
-[ 57%] Built target unichemformat
make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
+[ 57%] Built target unichemformat
+make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/molreport.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 57%] Built target APIInterface
-make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
-[ 58%] Built target molreport
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake --color=
-[ 58%] Built target stlformat
+[ 58%] Built target molreport
make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color=
-[ 58%] Built target titleformat
-make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
-[ 58%] Built target mopacformat
-make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/titleformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
+[ 58%] Built target stlformat
+make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
+[ 58%] Built target titleformat
+make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/build
-[ 59%] Built target nwchemformat
-make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
+[ 58%] Built target mopacformat
+make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
+[ 59%] Built target nwchemformat
+make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
+[ 59%] Built target qchemformat
+make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
-[ 59%] Built target qchemformat
-make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 59%] Built target fastaformat
-make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/build
+[ 59%] Built target fastaformat
+make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/svgformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 59%] Built target svgformat
+make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color=
-[ 59%] Built target confabreport
-make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
-[ 59%] Built target svgformat
-make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
[ 59%] Built target fingerprintformat
make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/confabreport.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
+make -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
[ 60%] Built target siestaformat
-make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/reportformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 61%] Built target reportformat
+make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
+[ 60%] Built target confabreport
make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pngformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 61%] Built target reportformat
+make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
[ 62%] Built target pngformat
-make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 62%] Built target vaspformat
make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
-[ 62%] Built target pwscfformat
-make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
-[ 63%] Built target zindoformat
-make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
-[ 64%] Built target acrformat
-make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/copyformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 62%] Built target vaspformat
+make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
+[ 62%] Built target pwscfformat
+make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
-[ 65%] Built target copyformat
-make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 63%] Built target acrformat
+make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
+[ 64%] Built target copyformat
+make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
+[ 65%] Built target zindoformat
+make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
-[ 65%] Built target moldenformat
-make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake --color=
-[ 66%] Built target orcaformat
-make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
+make -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/orcaformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 66%] Built target PQSformat
-make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/build
+[ 65%] Built target moldenformat
+make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
+[ 66%] Built target orcaformat
+make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/PQSformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
+[ 66%] Built target PQSformat
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
+[ 67%] Built target MCDLformat
+make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
-[ 67%] Built target MCDLformat
-make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
+[ 67%] Built target freefracformat
+make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 67%] Built target freefracformat
-make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
[ 68%] Built target amberformat
-make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
-[ 68%] Built target cccformat
make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
-[ 69%] Built target bgfformat
-make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 70%] Built target gaussformat
-make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 70%] Built target boxformat
-make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
-[ 71%] Built target cacheformat
-make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
-[ 71%] Built target cacaoformat
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
+make -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
+make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
+[ 68%] Built target cccformat
+make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 69%] Built target bgfformat
+make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 70%] Built target gaussformat
+make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
+[ 71%] Built target cacheformat
+make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
[ 72%] Built target fchkformat
+make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
+[ 72%] Built target boxformat
make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
[ 72%] Built target carformat
+[ 72%] Built target cacaoformat
make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
+[ 72%] Built target pqrformat
+make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
+make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
+[ 72%] Built target chem3dformat
+make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
-[ 72%] Built target pqrformat
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
-make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
-[ 72%] Built target chem3dformat
-make -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
-[ 73%] Built target chemdrawct
-make -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/formats /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/formats /build/openbabel-2.4.1+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
-[ 74%] Built target tinkerformat
-make -f tools/CMakeFiles/obspectrophore.dir/build.make tools/CMakeFiles/obspectrophore.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
+make -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
+make -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
+make -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
+make -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 74%] Built target textformat
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-[ 75%] Built target hinformat
make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/depend
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-make -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obchiral.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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+[ 75%] Built target textformat
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make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 75%] Built target molproformat
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-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/babel.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
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-[ 76%] Built target cifformat
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-[ 76%] Built target chemtoolformat
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-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obgen.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/babel.dir/build.make tools/CMakeFiles/babel.dir/build
-[ 76%] Built target featformat
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
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-[ 76%] Built target crkformat
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 76%] Built target cssrformat
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
@@ -9947,210 +9276,219 @@
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color=
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[ 77%] Built target dlpolyformat
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[ 78%] Built target fhiaimsformat
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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-make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/depend
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obfit.dir/DependInfo.cmake --color=
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-[ 79%] Built target babel
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-[ 79%] Built target fhformat
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make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obgrep.dir/DependInfo.cmake --color=
-[ 79%] Built target ghemicalformat
-make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
[ 79%] Built target obabel
-make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/depend
+make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obenergy.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color=
-[ 79%] Built target gromos96format
-make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/depend
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obrotate.dir/DependInfo.cmake --color=
+make -f tools/CMakeFiles/obrms.dir/build.make tools/CMakeFiles/obrms.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obprobe.dir/DependInfo.cmake --color=
+[ 79%] Built target babel
+make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obspectrophore.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 79%] Built target obspectrophore
-make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
+make -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'tools/CMakeFiles/obchiral.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'tools/CMakeFiles/obspectrophore.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
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make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 79%] Built target obchiral
-make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
+make -f tools/CMakeFiles/obprop.dir/build.make tools/CMakeFiles/obprop.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obgrep.dir/build.make tools/CMakeFiles/obgrep.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obrotamer.dir/build.make tools/CMakeFiles/obrotamer.dir/build
+[ 79%] Built target obspectrophore
+make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/build
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obrms.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obthermo.dir/build.make tools/CMakeFiles/obthermo.dir/build
+[ 79%] Built target obchiral
+make -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/build
+make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obrotate.dir/build.make tools/CMakeFiles/obrotate.dir/build
-[ 79%] Built target obrms
-make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/depend
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obprobe.dir/build.make tools/CMakeFiles/obprobe.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obsym.dir/build.make tools/CMakeFiles/obsym.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/GUI /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/GUI /build/openbabel-2.4.1+dfsg/builddir/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obgen.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obrms.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 79%] Built target obgen
-make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/tools /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/tools /build/openbabel-2.4.1+dfsg/builddir/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/src/GUI /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/src/GUI /build/openbabel-2.4.1+dfsg/builddir/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color=
+[ 79%] Built target obrms
+make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obprop.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obgen.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'tools/CMakeFiles/obfit.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obconformer.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 80%] Built target obprop
+[ 79%] Built target obgen
make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'tools/CMakeFiles/obprop.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
-[ 81%] Built target obfit
-make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'tools/CMakeFiles/obgrep.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 82%] Built target obconformer
-make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obrotamer.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obthermo.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 83%] Built target obgrep
-make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
-[ 83%] Built target obrotamer
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
+make[3]: Nothing to be done for 'tools/CMakeFiles/obrotamer.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 80%] Built target obfit
+make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'tools/CMakeFiles/obenergy.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obthermo.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obrotate.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 81%] Built target obprop
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 82%] Built target obgrep
+make -f tools/CMakeFiles/obtautomer.dir/build.make tools/CMakeFiles/obtautomer.dir/build
+make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
+make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obrotate.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obprobe.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
-[ 83%] Built target obenergy
-[ 83%] Built target obthermo
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'tools/CMakeFiles/obconformer.dir/build'.
+make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 82%] Built target obthermo
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'tools/CMakeFiles/obsym.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 84%] Built target obrotate
+[ 82%] Built target obrotamer
+[ 82%] Built target obenergy
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obprobe.dir/build'.
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/test /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/test /build/openbabel-2.4.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
+[ 83%] Built target obrotate
+[ 83%] Built target obprobe
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Nothing to be done for 'tools/CMakeFiles/obminimize.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+cd /build/openbabel-2.4.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/openbabel-2.4.1+dfsg /build/openbabel-2.4.1+dfsg/scripts /build/openbabel-2.4.1+dfsg/builddir /build/openbabel-2.4.1+dfsg/builddir/scripts /build/openbabel-2.4.1+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
+[ 84%] Built target obconformer
[ 85%] Built target obsym
-[ 85%] Built target obprobe
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
+[ 86%] Built target obminimize
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obminimize.dir/build'.
+make[3]: Nothing to be done for 'tools/CMakeFiles/obtautomer.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 86%] Built target obminimize
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'tools/CMakeFiles/obtautomer.dir/build'.
+make[3]: Nothing to be done for 'test/CMakeFiles/test_inchiwrite.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f tools/CMakeFiles/obdistgen.dir/build.make tools/CMakeFiles/obdistgen.dir/build
[ 86%] Built target obtautomer
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'test/CMakeFiles/test_inchiwrite.dir/build'.
-make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
[ 87%] Built target test_inchiwrite
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'test/CMakeFiles/roundtrip.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
+[ 87%] Built target roundtrip
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
-[ 87%] Built target roundtrip
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f src/GUI/CMakeFiles/obgui.dir/build.make src/GUI/CMakeFiles/obgui.dir/build
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
+make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'tools/CMakeFiles/obdistgen.dir/build'.
+make[3]: Nothing to be done for 'scripts/CMakeFiles/bindings_perl.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
-[ 87%] Built target obdistgen
-make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
-make[3]: Nothing to be done for 'scripts/CMakeFiles/bindings_perl.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 87%] Built target bindings_perl
+make -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/build
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build
+[ 87%] Built target bindings_perl
+[ 87%] Built target obdistgen
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/GUI/CMakeFiles/obgui.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'scripts/CMakeFiles/bindings_python.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
-[ 87%] Built target obgui
[ 88%] Built target bindings_python
+[ 88%] Built target obgui
make[3]: Entering directory '/build/openbabel-2.4.1+dfsg/builddir'
make[3]: Nothing to be done for 'test/CMakeFiles/test_runner.dir/build'.
make[3]: Leaving directory '/build/openbabel-2.4.1+dfsg/builddir'
@@ -10556,33 +9894,33 @@
make[1]: Leaving directory '/build/openbabel-2.4.1+dfsg'
dh_makeshlibs -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dh_shlibdeps -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libdl.so.2 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libz.so.1 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libgomp.so.1 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libcrypt.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libgomp.so.1 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libdl.so.2 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libcrypt.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libz.so.1 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obprop debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obthermo were not linked against libdl.so.2 (they use none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obprop debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obthermo were not linked against libz.so.1 (they use none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obprop debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obthermo were not linked against libgomp.so.1 (they use none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obprop debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obthermo were not linked against libpthread.so.0 (they use none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libdl.so.2 (it uses none of the library's symbols)
-dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libpthread.so.0 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/libchemistry-openbabel-perl/usr/lib/x86_64-linux-gnu/perl5/5.28/auto/Chemistry/OpenBabel/OpenBabel.so was not linked against libdl.so.2 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libz.so.1 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libgomp.so.1 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/python-openbabel/usr/lib/python2.7/dist-packages/_openbabel.x86_64-linux-gnu.so was not linked against libdl.so.2 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libgomp.so.1 (it uses none of the library's symbols)
dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libz.so.1 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libpthread.so.0 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel-gui/usr/bin/obgui was not linked against libdl.so.2 (it uses none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obthermo debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obprop were not linked against libz.so.1 (they use none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obthermo debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obprop were not linked against libgomp.so.1 (they use none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obthermo debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obprop were not linked against libpthread.so.0 (they use none of the library's symbols)
+dpkg-shlibdeps: warning: package could avoid a useless dependency if debian/openbabel/usr/bin/obfit debian/openbabel/usr/bin/obchiral debian/openbabel/usr/bin/obsym debian/openbabel/usr/bin/obrotate debian/openbabel/usr/bin/obgrep debian/openbabel/usr/bin/obthermo debian/openbabel/usr/bin/obminimize debian/openbabel/usr/bin/obprobe debian/openbabel/usr/bin/obabel debian/openbabel/usr/bin/obconformer debian/openbabel/usr/bin/obgen debian/openbabel/usr/bin/babel debian/openbabel/usr/bin/obenergy debian/openbabel/usr/bin/obtautomer debian/openbabel/usr/bin/obdistgen debian/openbabel/usr/bin/obrotamer debian/openbabel/usr/bin/obrms debian/openbabel/usr/bin/obspectrophore debian/openbabel/usr/bin/obprop were not linked against libdl.so.2 (they use none of the library's symbols)
dh_installdeb -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dh_gencontrol -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dpkg-gencontrol: warning: package python-openbabel: substitution variable ${python:Versions} unused, but is defined
dh_md5sums -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
dh_builddeb -O--builddirectory=/build/openbabel-2.4.1\+dfsg/builddir
-dpkg-deb: building package 'openbabel' in '../openbabel_2.4.1+dfsg-3_amd64.deb'.
+dpkg-deb: building package 'libopenbabel-doc' in '../libopenbabel-doc_2.4.1+dfsg-3_all.deb'.
dpkg-deb: building package 'libopenbabel-dev' in '../libopenbabel-dev_2.4.1+dfsg-3_amd64.deb'.
+dpkg-deb: building package 'openbabel' in '../openbabel_2.4.1+dfsg-3_amd64.deb'.
dpkg-deb: building package 'openbabel-gui' in '../openbabel-gui_2.4.1+dfsg-3_amd64.deb'.
+dpkg-deb: building package 'openbabel-dbg' in '../openbabel-dbg_2.4.1+dfsg-3_amd64.deb'.
dpkg-deb: building package 'libopenbabel5' in '../libopenbabel5_2.4.1+dfsg-3_amd64.deb'.
-dpkg-deb: building package 'libopenbabel-doc' in '../libopenbabel-doc_2.4.1+dfsg-3_all.deb'.
dpkg-deb: building package 'libchemistry-openbabel-perl' in '../libchemistry-openbabel-perl_2.4.1+dfsg-3_amd64.deb'.
-dpkg-deb: building package 'openbabel-dbg' in '../openbabel-dbg_2.4.1+dfsg-3_amd64.deb'.
dpkg-deb: building package 'python-openbabel' in '../python-openbabel_2.4.1+dfsg-3_amd64.deb'.
dpkg-genbuildinfo --build=binary
dpkg-genchanges --build=binary >../openbabel_2.4.1+dfsg-3_amd64.changes
@@ -10591,12 +9929,14 @@
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: not including original source code in upload
I: copying local configuration
+I: user script /srv/workspace/pbuilder/2315527/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/2315527/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/1990442 and its subdirectories
-I: Current time: Wed Dec 8 03:19:05 -12 2021
-I: pbuilder-time-stamp: 1638976745
+I: removing directory /srv/workspace/pbuilder/2315527 and its subdirectories
+I: Current time: Wed Jan 11 12:19:07 +14 2023
+I: pbuilder-time-stamp: 1673389147