Diff of the two buildlogs:
--
--- b1/build.log 2025-01-23 16:21:36.012103878 +0000
+++ b2/build.log 2025-01-23 16:23:40.614478068 +0000
@@ -1,6 +1,6 @@
I: pbuilder: network access will be disabled during build
-I: Current time: Thu Jan 23 04:17:30 -12 2025
-I: pbuilder-time-stamp: 1737649050
+I: Current time: Thu Feb 26 12:44:43 +14 2026
+I: pbuilder-time-stamp: 1772059483
I: Building the build Environment
I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz]
I: copying local configuration
@@ -27,52 +27,84 @@
dpkg-source: info: applying disable_failing_tests.patch
I: using fakeroot in build.
I: Installing the build-deps
-I: user script /srv/workspace/pbuilder/592686/tmp/hooks/D02_print_environment starting
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/D01_modify_environment starting
+debug: Running on codethink03-arm64.
+I: Changing host+domainname to test build reproducibility
+I: Adding a custom variable just for the fun of it...
+I: Changing /bin/sh to bash
+'/bin/sh' -> '/bin/bash'
+lrwxrwxrwx 1 root root 9 Feb 25 22:44 /bin/sh -> /bin/bash
+I: Setting pbuilder2's login shell to /bin/bash
+I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/D01_modify_environment finished
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/D02_print_environment starting
I: set
- BUILDDIR='/build/reproducible-path'
- BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other'
- BUILDUSERNAME='pbuilder1'
- BUILD_ARCH='arm64'
- DEBIAN_FRONTEND='noninteractive'
+ BASH=/bin/sh
+ BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath
+ BASH_ALIASES=()
+ BASH_ARGC=()
+ BASH_ARGV=()
+ BASH_CMDS=()
+ BASH_LINENO=([0]="12" [1]="0")
+ BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:.
+ BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment")
+ BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu")
+ BASH_VERSION='5.2.37(1)-release'
+ BUILDDIR=/build/reproducible-path
+ BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other'
+ BUILDUSERNAME=pbuilder2
+ BUILD_ARCH=arm64
+ DEBIAN_FRONTEND=noninteractive
DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 '
- DISTRIBUTION='trixie'
- HOME='/root'
- HOST_ARCH='arm64'
+ DIRSTACK=()
+ DISTRIBUTION=trixie
+ EUID=0
+ FUNCNAME=([0]="Echo" [1]="main")
+ GROUPS=()
+ HOME=/root
+ HOSTNAME=i-capture-the-hostname
+ HOSTTYPE=aarch64
+ HOST_ARCH=arm64
IFS='
'
- INVOCATION_ID='210695376eec4454afe44612a53d7e4f'
- 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='592686'
- PS1='# '
- PS2='> '
+ INVOCATION_ID=42ea6c7dc01a46669116e37239087445
+ LANG=C
+ LANGUAGE=nl_BE:nl
+ LC_ALL=C
+ MACHTYPE=aarch64-unknown-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=296953
PS4='+ '
- PWD='/'
- SHELL='/bin/bash'
- SHLVL='2'
- SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.OSQZoIIT/pbuilderrc_Fcih --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.OSQZoIIT/b1 --logfile b1/build.log mopac_23.0.3-1.dsc'
- SUDO_GID='109'
- SUDO_UID='104'
- SUDO_USER='jenkins'
- TERM='unknown'
- TZ='/usr/share/zoneinfo/Etc/GMT+12'
- USER='root'
- _='/usr/bin/systemd-run'
- http_proxy='http://192.168.101.4:3128'
+ PWD=/
+ SHELL=/bin/bash
+ SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix
+ SHLVL=3
+ SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.OSQZoIIT/pbuilderrc_PQII --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.OSQZoIIT/b2 --logfile b2/build.log mopac_23.0.3-1.dsc'
+ SUDO_GID=109
+ SUDO_UID=104
+ SUDO_USER=jenkins
+ TERM=unknown
+ TZ=/usr/share/zoneinfo/Etc/GMT-14
+ UID=0
+ USER=root
+ _='I: set'
+ http_proxy=http://192.168.101.4:3128
I: uname -a
- Linux codethink04-arm64 6.1.0-30-cloud-arm64 #1 SMP Debian 6.1.124-1 (2025-01-12) aarch64 GNU/Linux
+ Linux i-capture-the-hostname 6.1.0-30-cloud-arm64 #1 SMP Debian 6.1.124-1 (2025-01-12) aarch64 GNU/Linux
I: ls -l /bin
- lrwxrwxrwx 1 root root 7 Nov 22 14:40 /bin -> usr/bin
-I: user script /srv/workspace/pbuilder/592686/tmp/hooks/D02_print_environment finished
+ lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/D02_print_environment finished
-> Attempting to satisfy build-dependencies
-> Creating pbuilder-satisfydepends-dummy package
Package: pbuilder-satisfydepends-dummy
@@ -213,7 +245,7 @@
Get: 91 http://deb.debian.org/debian trixie/main arm64 python3-jaraco.functools all 4.1.0-1 [12.0 kB]
Get: 92 http://deb.debian.org/debian trixie/main arm64 python3-pkg-resources all 75.6.0-1 [222 kB]
Get: 93 http://deb.debian.org/debian trixie/main arm64 python3-numpy arm64 1:1.26.4+ds-12 [3816 kB]
-Fetched 64.2 MB in 0s (133 MB/s)
+Fetched 64.2 MB in 0s (145 MB/s)
Preconfiguring packages ...
Selecting previously unselected package libpython3.12-minimal:arm64.
(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 ... 19970 files and directories currently installed.)
@@ -530,8 +562,8 @@
Setting up tzdata (2024b-6) ...
Current default time zone: 'Etc/UTC'
-Local time is now: Thu Jan 23 16:18:19 UTC 2025.
-Universal Time is now: Thu Jan 23 16:18:19 UTC 2025.
+Local time is now: Wed Feb 25 22:45:06 UTC 2026.
+Universal Time is now: Wed Feb 25 22:45:06 UTC 2026.
Run 'dpkg-reconfigure tzdata' if you wish to change it.
Setting up autotools-dev (20220109.1) ...
@@ -625,7 +657,11 @@
fakeroot is already the newest version (1.36.2-1).
0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded.
I: Building the package
-I: Running cd /build/reproducible-path/mopac-23.0.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../mopac_23.0.3-1_source.changes
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/A99_set_merged_usr starting
+Not re-configuring usrmerge for trixie
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/A99_set_merged_usr finished
+hostname: Name or service not known
+I: Running cd /build/reproducible-path/mopac-23.0.3/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../mopac_23.0.3-1_source.changes
dpkg-buildpackage: info: source package mopac
dpkg-buildpackage: info: source version 23.0.3-1
dpkg-buildpackage: info: source distribution unstable
@@ -675,7 +711,7 @@
-- Found OpenMP_Fortran: -fopenmp (found version "4.5")
-- Found OpenMP: TRUE (found version "4.5")
-- Found Python3: /usr/bin/python3 (found version "3.12.8") found components: Interpreter
--- Configuring done (6.7s)
+-- Configuring done (5.0s)
-- Generating done (0.1s)
CMake Warning:
Manually-specified variables were not used by the project:
@@ -696,154 +732,154 @@
make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/depend
make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/depend
make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake "--color="
+make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake "--color="
Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-makpol.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal".
Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-makpol.dir/depend.internal".
-Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal".
-Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal".
Scanning dependencies of target mopac-makpol
make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make -f CMakeFiles/mopac-makpol.dir/build.make CMakeFiles/mopac-makpol.dir/build
+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal".
+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-core.dir/depend.internal".
make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o
+[ 0%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_ctvec.F90.o
[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o
-[ 1%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_elemts.F90.o
+[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_jobnam.F90.o
+[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_geosym.F90.o
/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_atomtx.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_atomtx.F90.o
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-Scanning dependencies of target mopac-core
-/usr/bin/cmake -E cmake_copy_f90_mod common_atomtx.mod CMakeFiles/mopac-makpol.dir/common_atomtx.mod.stamp GNU
-make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build
[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o
-[ 2%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o
+[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o
+[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o
+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_symult.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_symult.F90.o
/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_systm.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_systm.F90.o
-make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_titles.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o
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+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_titles.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_titles.F90.o
+[ 3%] Building Fortran object CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o
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+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_keywrd.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_keywrd.F90.o
+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -c /build/reproducible-path/mopac-23.0.3/src/makpol/common_sizes.F90 -o CMakeFiles/mopac-makpol.dir/src/makpol/common_sizes.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/myword.F90 -o CMakeFiles/mopac-core.dir/src/input/myword.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/kab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/kab.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/jab.F90 -o CMakeFiles/mopac-core.dir/src/integrals/jab.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/diag_for_GPU.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag_for_GPU.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mtxm.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mtxm.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/rsp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/rsp.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/mult.F90 -o CMakeFiles/mopac-core.dir/src/matrix/mult.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/ddiag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/ddiag.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/xxx.F90 -o CMakeFiles/mopac-core.dir/src/output/xxx.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/potentials/genun.F90 -o CMakeFiles/mopac-core.dir/src/potentials/genun.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/quadr.F90 -o CMakeFiles/mopac-core.dir/src/reactions/quadr.F90.o
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-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prttim.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prttim.F90.o
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[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/upcase.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/symopr.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/symopr.F90.o
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-/usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU
+[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o
+/usr/bin/cmake -E cmake_copy_f90_mod common_arrays_c.mod CMakeFiles/mopac-core.dir/common_arrays_c.mod.stamp GNU
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/reada.F90 -o CMakeFiles/mopac-core.dir/src/utilities/reada.F90.o
+/usr/bin/cmake -E cmake_copy_f90_mod reimers_c.mod CMakeFiles/mopac-core.dir/reimers_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod mozyme_c.mod CMakeFiles/mopac-core.dir/mozyme_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod param_global_c.mod CMakeFiles/mopac-core.dir/param_global_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod iter_c.mod CMakeFiles/mopac-core.dir/iter_c.mod.stamp GNU
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/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_c.mod.stamp GNU
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/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_am1_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_am1_sparkles_c.mod.stamp GNU
+[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_indo_c.mod CMakeFiles/mopac-core.dir/parameters_for_indo_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm3_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm3_c.mod.stamp GNU
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/esp_utilities.F90 -o CMakeFiles/mopac-core.dir/src/matrix/esp_utilities.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm3_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm3_sparkles_c.mod.stamp GNU
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[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o
-[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_C.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o
+/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm6_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm6_sparkles_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_pm7_sparkles_c.mod CMakeFiles/mopac-core.dir/parameters_for_pm7_sparkles_c.mod.stamp GNU
+/usr/bin/cmake -E cmake_copy_f90_mod parameters_for_rm1_c.mod CMakeFiles/mopac-core.dir/parameters_for_rm1_c.mod.stamp GNU
+[ 28%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o
[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM6_ORG_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM6_ORG_C.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/models/parameters_for_PM7_C.F90 -o CMakeFiles/mopac-core.dir/src/models/parameters_for_PM7_C.F90.o
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[ 29%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/parameters_for_PM8_C.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/solvation/afmm_C.F90 -o CMakeFiles/mopac-core.dir/src/solvation/afmm_C.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/symmetry/charst.F90 -o CMakeFiles/mopac-core.dir/src/symmetry/charst.F90.o
+/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/symmetry/symmetry_C.F90.o.provides.build
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_mopac.F90 -o CMakeFiles/mopac-core.dir/src/run_mopac.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/setup_mopac_arrays.F90 -o CMakeFiles/mopac-core.dir/src/setup_mopac_arrays.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/run_param.F90 -o CMakeFiles/mopac-core.dir/src/run_param.F90.o
[ 31%] Building Fortran object CMakeFiles/mopac-core.dir/src/mopend.F90.o
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+[ 31%] Linking Fortran executable mopac-makpol
+/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-makpol.dir/link.txt --verbose=1
[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/INDO/excite.F90 -o CMakeFiles/mopac-core.dir/src/INDO/excite.F90.o
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+make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+[ 32%] Built target mopac-makpol
[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/INDO/integral.F90 -o CMakeFiles/mopac-core.dir/src/INDO/integral.F90.o
[ 32%] Building Fortran object CMakeFiles/mopac-core.dir/src/INDO/rci.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/add_more_interactions.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/add_more_interactions.F90.o
[ 35%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o
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+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/isitsc.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/isitsc.F90.o
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-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/eimp.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/set_up_MOZYME_arrays.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/set_up_MOZYME_arrays.F90.o
+[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/eimp.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/eimp.F90.o
[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/vecprt_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/vecprt_for_MOZYME.F90.o
[ 36%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer2.F90.o
@@ -1093,13 +1129,13 @@
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/diagg.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg.F90.o
[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/bonds_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/bonds_for_MOZYME.F90.o
-[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o
[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/prtlmo.F90.o
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+[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/density_for_MOZYME.F90.o
[ 37%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o
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[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/dipole_for_MOZYME.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/addhb.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/addhb.F90.o
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[ 38%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/local_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/local_for_MOZYME.F90.o
@@ -1113,22 +1149,22 @@
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hybrid.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hybrid.F90.o
-[ 39%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/makvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/makvec.F90.o
+[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/tidy.F90.o
[ 40%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/selmos.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/diagg2.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg2.F90.o
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[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/convert_storage.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/convert_storage.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/diagg1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/diagg1.F90.o
-[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/outer1.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/outer1.F90.o
[ 41%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/adjvec.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/adjvec.F90.o
[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_eigs.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/getpar.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getpar.F90.o
[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/partab.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/partab.F90.o
[ 42%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/extract_parameter.F90.o
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[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/pardip.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/pardip.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/psort.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/psort.F90.o
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[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/rapid3.F90.o
-[ 43%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/rapid1.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/rapid1.F90.o
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+[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/resetp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/resetp.F90.o
[ 44%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/getmol.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/getmol.F90.o
@@ -1180,8 +1216,8 @@
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[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/PARAM/filusp.F90 -o CMakeFiles/mopac-core.dir/src/PARAM/filusp.F90.o
[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/PARAM/chkpar.F90.o
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[ 47%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/cnvg.F90.o
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@@ -1190,14 +1226,14 @@
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[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/swap.F90 -o CMakeFiles/mopac-core.dir/src/SCF/swap.F90.o
[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/local.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/local.F90 -o CMakeFiles/mopac-core.dir/src/SCF/local.F90.o
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[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/SCF/capcor.F90 -o CMakeFiles/mopac-core.dir/src/SCF/capcor.F90.o
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[ 48%] Building Fortran object CMakeFiles/mopac-core.dir/src/SCF/pulay.F90.o
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[ 49%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/findn1.F90.o
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[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o
-[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/greek.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/greek.F90.o
+[ 51%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/txtype.F90.o
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-[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chklew.F90.o
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[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/geochk_bits_1.F90.o
-[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o
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+[ 52%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/chkion.F90.o
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[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/disp_DnX.F90.o
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+[ 55%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/post_scf_corrections.F90.o
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+[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deriv.F90.o
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[ 56%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/freqcy.F90.o
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[ 57%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/jcarin.F90.o
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-[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/deri2.F90.o
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[ 60%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/force.F90.o
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[ 61%] Building Fortran object CMakeFiles/mopac-core.dir/src/forces/dijkl1.F90.o
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[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getsym.F90.o
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-[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o
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-[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o
+[ 64%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/readmo.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/readmo.F90 -o CMakeFiles/mopac-core.dir/src/input/readmo.F90.o
[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/wrt_diffs.F90 -o CMakeFiles/mopac-core.dir/src/input/wrt_diffs.F90.o
+[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/getpdb.F90 -o CMakeFiles/mopac-core.dir/src/input/getpdb.F90.o
[ 65%] Building Fortran object CMakeFiles/mopac-core.dir/src/input/datin.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/datin.F90 -o CMakeFiles/mopac-core.dir/src/input/datin.F90.o
@@ -1341,10 +1377,10 @@
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/input/init_filenames.F90 -o CMakeFiles/mopac-core.dir/src/input/init_filenames.F90.o
[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/set.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/set.F90 -o CMakeFiles/mopac-core.dir/src/integrals/set.F90.o
-[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/h1elec.F90 -o CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o
[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/diat.F90 -o CMakeFiles/mopac-core.dir/src/integrals/diat.F90.o
+[ 68%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/h1elec.F90 -o CMakeFiles/mopac-core.dir/src/integrals/h1elec.F90.o
[ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/ccrep.F90 -o CMakeFiles/mopac-core.dir/src/integrals/ccrep.F90.o
[ 69%] Building Fortran object CMakeFiles/mopac-core.dir/src/integrals/hcore.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/integrals/solrot.F90 -o CMakeFiles/mopac-core.dir/src/integrals/solrot.F90.o
[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/interp.F90 -o CMakeFiles/mopac-core.dir/src/matrix/interp.F90.o
-[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/molval.F90 -o CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o
[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/eigenvectors_LAPACK.F90 -o CMakeFiles/mopac-core.dir/src/matrix/eigenvectors_LAPACK.F90.o
+[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/molval.F90 -o CMakeFiles/mopac-core.dir/src/matrix/molval.F90.o
[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/matrix/diag.F90 -o CMakeFiles/mopac-core.dir/src/matrix/diag.F90.o
[ 71%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecid.F90.o
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[ 72%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/mecip.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecip.F90.o
[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o
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[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/aababc.F90 -o CMakeFiles/mopac-core.dir/src/meci/aababc.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/aabbcd.F90 -o CMakeFiles/mopac-core.dir/src/meci/aabbcd.F90.o
[ 73%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/perm.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/perm.F90 -o CMakeFiles/mopac-core.dir/src/meci/perm.F90.o
@@ -1385,10 +1421,10 @@
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/ijkl.F90 -o CMakeFiles/mopac-core.dir/src/meci/ijkl.F90.o
[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/meci.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/meci.F90 -o CMakeFiles/mopac-core.dir/src/meci/meci.F90.o
-[ 74%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o
[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/mecih.F90 -o CMakeFiles/mopac-core.dir/src/meci/mecih.F90.o
+[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/formxy.F90 -o CMakeFiles/mopac-core.dir/src/meci/formxy.F90.o
[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/meci/ciosci.F90 -o CMakeFiles/mopac-core.dir/src/meci/ciosci.F90.o
[ 75%] Building Fortran object CMakeFiles/mopac-core.dir/src/models/alpb_and_xfac_mndod.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/mullik.F90 -o CMakeFiles/mopac-core.dir/src/properties/mullik.F90.o
[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/bonds.F90.o
-[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/bonds.F90 -o CMakeFiles/mopac-core.dir/src/properties/bonds.F90.o
+[ 87%] Building Fortran object CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/dipole.F90 -o CMakeFiles/mopac-core.dir/src/properties/dipole.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/properties/static_polarizability.F90 -o CMakeFiles/mopac-core.dir/src/properties/static_polarizability.F90.o
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/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/write_trajectory.F90 -o CMakeFiles/mopac-core.dir/src/reactions/write_trajectory.F90.o
[ 88%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o
[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/grid.F90 -o CMakeFiles/mopac-core.dir/src/reactions/grid.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/set_up_RAPID.F90 -o CMakeFiles/mopac-core.dir/src/reactions/set_up_RAPID.F90.o
[ 89%] Building Fortran object CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/reactions/drc.F90 -o CMakeFiles/mopac-core.dir/src/reactions/drc.F90.o
@@ -1537,11 +1573,11 @@
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/timer.F90 -o CMakeFiles/mopac-core.dir/src/utilities/timer.F90.o
[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/ijbo.F90 -o CMakeFiles/mopac-core.dir/src/utilities/ijbo.F90.o
-[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o
[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/prtgra.F90 -o CMakeFiles/mopac-core.dir/src/utilities/prtgra.F90.o
+[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/Common_arrays_C.F90.o.provides.build
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/utilities/seconds.F90 -o CMakeFiles/mopac-core.dir/src/utilities/seconds.F90.o
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/INDO/reimers_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/MOZYME/MOZYME_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/PARAM/Param_global_C.F90.o.provides.build
@@ -1549,18 +1585,18 @@
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chanel_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/atomradii_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/conref_C.F90.o.provides.build
-/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build
[ 95%] Building Fortran object CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/chemistry/orient_water.F90 -o CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o
+/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/elemts_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/funcon_C.F90.o.provides.build
[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/corrections/H_bonds4.F90 -o CMakeFiles/mopac-core.dir/src/corrections/H_bonds4.F90.o
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/integrals/mndod_C.F90.o.provides.build
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api.F90.o.provides.build
[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o
[ 96%] Building Fortran object CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_operations.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_operations.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/interface/mopac_api_createdestroy.F90 -o CMakeFiles/mopac-core.dir/src/interface/mopac_api_createdestroy.F90.o
/usr/bin/cmake -E cmake_copy_f90_mod saxpy_i.mod CMakeFiles/mopac-core.dir/saxpy_i.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod scopy_i.mod CMakeFiles/mopac-core.dir/scopy_i.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/meci/meci_C.F90.o.provides.build
@@ -1619,25 +1655,25 @@
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/usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_saveload.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_saveload.smod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_saveload.F90.o.provides.build
-/usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_initialize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_initialize.smod.stamp GNU
-/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod orient_water_c.mod CMakeFiles/mopac-core.dir/orient_water_c.mod.stamp GNU
+/usr/bin/cmake -E cmake_copy_f90_mod mopac_api@mopac_api_initialize.smod CMakeFiles/mopac-core.dir/mopac_api@mopac_api_initialize.smod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/chemistry/orient_water.F90.o.provides.build
+/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/interface/mopac_api_initialize.F90.o.provides.build
/usr/bin/cmake -E cmake_copy_f90_mod cosmo_mini.mod CMakeFiles/mopac-core.dir/cosmo_mini.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod linear_cosmo.mod CMakeFiles/mopac-core.dir/linear_cosmo.mod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/mopac-core.dir/src/solvation/linear_cosmo.F90.o.provides.build
-[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o
-[ 97%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o
[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o
-/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/iter_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/iter_for_MOZYME.F90.o
-[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o
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+[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/compfg.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/compfg.F90 -o CMakeFiles/mopac-core.dir/src/compfg.F90.o
+[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o
[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/writmo.F90.o
+[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/fock2z.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/fock2z.F90.o
+[ 98%] Building Fortran object CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o
/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/writmo.F90 -o CMakeFiles/mopac-core.dir/src/output/writmo.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/output/prtpka.F90 -o CMakeFiles/mopac-core.dir/src/output/prtpka.F90.o
+/usr/bin/f95 -DMOPAC_OS=\"Linux\" -DMOPAC_VERSION_FULL=\"23.0.3\" -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/MOZYME/hcore_for_MOZYME.F90 -o CMakeFiles/mopac-core.dir/src/MOZYME/hcore_for_MOZYME.F90.o
[ 98%] Linking Fortran static library libmopac.a
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[ 98%] Built target mopac-core
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make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend
+make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/depend
+make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color="
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-make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/depend
cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color="
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cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color="
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+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal".
+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal".
+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal".
+Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal".
Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/depend.internal".
Scanning dependencies of target mopac
+Scanning dependencies of target mopac-param
+make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build
make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build
make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
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-Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/depend.internal".
+make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
Scanning dependencies of target mopac-api-test
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-Dependee "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/CMakeDirectoryInformation.cmake" is newer than depender "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/depend.internal".
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[ 98%] Building Fortran object CMakeFiles/mopac.dir/src/mopac.F90.o
-make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build
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-make[3]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/src/param.F90 -o CMakeFiles/mopac-param.dir/src/param.F90.o
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/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper.F90.o
-[ 98%] Building Fortran object CMakeFiles/mopac-param.dir/src/param.F90.o
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-/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1
[ 99%] Linking Fortran executable mopac-param
+[ 99%] Linking Fortran executable mopac
+/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac.dir/link.txt --verbose=1
/usr/bin/cmake -E cmake_link_script CMakeFiles/mopac-param.dir/link.txt --verbose=1
/usr/bin/cmake -E cmake_copy_f90_mod mopac_api_f.mod CMakeFiles/mopac-api-test.dir/mopac_api_f.mod.stamp GNU
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+[100%] Building Fortran object CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o
[100%] Building Fortran object CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o
+/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/include/mopac_wrapper_internal.F90 -o CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o
/usr/bin/f95 -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard -fopenmp -c /build/reproducible-path/mopac-23.0.3/tests/mopac_api_test.F90 -o CMakeFiles/mopac-api-test.dir/tests/mopac_api_test.F90.o
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/usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac-param.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard "CMakeFiles/mopac-param.dir/src/param.F90.o" -o mopac-param -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so
make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-[100%] Built target mopac
+/usr/bin/f95 -Wl,-z,relro -fopenmp -Wl,--dependency-file=CMakeFiles/mopac.dir/link.d -g -O2 -ffile-prefix-map=/build/reproducible-path/mopac-23.0.3=. -fstack-protector-strong -fstack-clash-protection -mbranch-protection=standard CMakeFiles/mopac.dir/src/mopac.F90.o -o mopac -Wl,-rpath,:::::::::::::: libmopac.a /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so /usr/lib/aarch64-linux-gnu/libblas.so /usr/lib/aarch64-linux-gnu/liblapack.so
+make[3]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
[100%] Built target mopac-param
+[100%] Built target mopac
/usr/bin/cmake -E cmake_copy_f90_mod mopac_api_c.mod CMakeFiles/mopac-api-test.dir/mopac_api_c.mod.stamp GNU
/usr/bin/cmake -E cmake_copy_f90_mod mopac_api_f@mopac_api_f_internal.smod CMakeFiles/mopac-api-test.dir/mopac_api_f@mopac_api_f_internal.smod.stamp GNU
/usr/bin/cmake -E touch CMakeFiles/mopac-api-test.dir/include/mopac_wrapper_internal.F90.o.provides.build
@@ -1792,185 +1828,217 @@
7: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "convert_an_un-edited_PDB_file.mop"
7: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
7: Test timeout computed to be: 10000000
-4: Thu Jan 23 04:19:52 2025 Job: 'Test_XENO' started successfully
-10: Thu Jan 23 04:19:52 2025 Job: 'PDB1CBN.ent' started successfully
-12: Thu Jan 23 04:19:52 2025 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully
+6: Thu Feb 26 12:45:53 2026 Job: 'convert_an_edited_PDB_file' started successfully
+2: Thu Feb 26 12:45:53 2026 Job: 'Crambin_1SCF' started successfully
+4: Thu Feb 26 12:45:53 2026 Job: 'Test_XENO' started successfully
+1: Thu Feb 26 12:45:53 2026 Job: 'port' started successfully
+6:
+6:
+6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Feb 26, 2026, at 12:45.
+6:
+7: Thu Feb 26 12:45:53 2026 Job: 'convert_an_un-edited_PDB_file' started successfully
4:
4:
-4: MOPAC Job: "Test_XENO.mop" ended normally on Jan 23, 2025, at 04:19.
+4: MOPAC Job: "Test_XENO.mop" ended normally on Feb 26, 2026, at 12:45.
4:
-11: Thu Jan 23 04:19:52 2025 Job: 'PDB1EJG.ent' started successfully
-13: Thu Jan 23 04:19:52 2025 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully
-2: Thu Jan 23 04:19:52 2025 Job: 'Crambin_1SCF' started successfully
-1: Thu Jan 23 04:19:52 2025 Job: 'port' started successfully
-10:
-10:
-10: MOPAC Job: "PDB1CBN.ent" ended normally on Jan 23, 2025, at 04:19.
-10:
-11:
-11:
-11: MOPAC Job: "PDB1EJG.ent" ended normally on Jan 23, 2025, at 04:19.
-11:
-7: Thu Jan 23 04:19:52 2025 Job: 'convert_an_un-edited_PDB_file' started successfully
-23: Thu Jan 23 04:19:52 2025 Job: 'IONIZE' started successfully
7:
7:
-7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Jan 23, 2025, at 04:19.
+7: MOPAC Job: "convert_an_un-edited_PDB_file.mop" ended normally on Feb 26, 2026, at 12:45.
7:
-6: Thu Jan 23 04:19:52 2025 Job: 'convert_an_edited_PDB_file' started successfully
-6:
-6:
-6: MOPAC Job: "convert_an_edited_PDB_file.mop" ended normally on Jan 23, 2025, at 04:19.
-6:
- 1/124 Test #4: xeno ............................. Passed 0.64 sec
+10: Thu Feb 26 12:45:53 2026 Job: 'PDB1CBN.ent' started successfully
+23: Thu Feb 26 12:45:53 2026 Job: 'IONIZE' started successfully
+5: Thu Feb 26 12:45:53 2026 Job: 'Test_Hetero_group' started successfully
+13: Thu Feb 26 12:45:53 2026 Job: 'ADD-H_Bacteriorhodopsin_1AT9' started successfully
+12: Thu Feb 26 12:45:53 2026 Job: 'ADD-H_Bacteriorhodopsin_1AP9' started successfully
+5:
+5:
+5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Feb 26, 2026, at 12:45.
+5:
+6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+10:
+10:
+10: MOPAC Job: "PDB1CBN.ent" ended normally on Feb 26, 2026, at 12:45.
+10:
+ 1/124 Test #7: convert_unedited_pdb ............. Passed 0.28 sec
+11: Thu Feb 26 12:45:53 2026 Job: 'PDB1EJG.ent' started successfully
test 8
Start 8: ters_preserved
8: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Check_that_TERs_are_preserved.mop" "Check_TERs.pdb"
8: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
8: Test timeout computed to be: 10000000
-5: Thu Jan 23 04:19:52 2025 Job: 'Test_Hetero_group' started successfully
-5:
-5:
-5: MOPAC Job: "Test_Hetero_group.mop" ended normally on Jan 23, 2025, at 04:19.
-5:
- 2/124 Test #11: pdb1ejg .......................... Passed 0.94 sec
+ 2/124 Test #6: convert_edited_pdb ............... Passed 0.33 sec
test 9
Start 9: compare_proteins
9: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_two_protein_structures.mop" "Structure-1.txt" "Structure-2.txt"
9: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
9: Test timeout computed to be: 10000000
- 3/124 Test #7: convert_unedited_pdb ............. Passed 0.75 sec
+11:
+11:
+11: MOPAC Job: "PDB1EJG.ent" ended normally on Feb 26, 2026, at 12:45.
+11:
+ 3/124 Test #4: xeno ............................. Passed 0.35 sec
test 14
Start 14: add-h3
14: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Au_Add-H.mop"
14: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
14: Test timeout computed to be: 10000000
-6: WARNING: numerical mismatch between -7.12533968 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and -6.98803573 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 28.25378616 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 27.27225907 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 28.08733588 on reference line 525 in /build/reproducible-path/mopac-23.0.3/tests and 29.36796565 on output line 525 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between -8.41248313 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and -7.9194903 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 27.87173887 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.4653229 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 29.04523373 on reference line 526 in /build/reproducible-path/mopac-23.0.3/tests and 28.45681742 on output line 526 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between -7.125 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and -6.988 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 28.254 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 27.272 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 28.087 on reference line 743 in /build/reproducible-path/mopac-23.0.3/tests and 29.368 on output line 743 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between -8.412 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and -7.919 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 27.872 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.465 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-6: WARNING: numerical mismatch between 29.045 on reference line 744 in /build/reproducible-path/mopac-23.0.3/tests and 28.457 on output line 744 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-8: Thu Jan 23 04:19:53 2025 Job: 'Check_that_TERs_are_preserved' started successfully
-8:
-8:
-8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Jan 23, 2025, at 04:19.
-8:
- 4/124 Test #6: convert_edited_pdb ............... Passed 0.98 sec
+ 4/124 Test #5: hetero_group ..................... Passed 0.40 sec
test 22
Start 22: locate_ts
22: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Locate_TS.mop" "Cyclobutadiene_1.arc" "Cyclobutadiene_2.arc"
22: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
22: Test timeout computed to be: 10000000
- 5/124 Test #10: pdb1cbn .......................... Passed 1.23 sec
-test 15
- Start 15: compare_add-h
-
-15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop"
-15: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
-15: Test timeout computed to be: 10000000
- 6/124 Test #5: hetero_group ..................... Passed 1.18 sec
-test 16
- Start 16: pdb_compare
-
-16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop"
-16: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
-16: Test timeout computed to be: 10000000
23:
23:
-23: MOPAC Job: "IONIZE.mop" ended normally on Jan 23, 2025, at 04:19.
+23: MOPAC Job: "IONIZE.mop" ended normally on Feb 26, 2026, at 12:45.
23:
-9: Thu Jan 23 04:19:53 2025 Job: 'Compare_two_protein_structures' started successfully
-14: Thu Jan 23 04:19:53 2025 Job: 'Au_Add-H' started successfully
-9:
-9:
-9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Jan 23, 2025, at 04:19.
-9:
-13:
-13:
-13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Jan 23, 2025, at 04:19.
-13:
- 7/124 Test #8: ters_preserved ................... Passed 0.65 sec
+8: Thu Feb 26 12:45:53 2026 Job: 'Check_that_TERs_are_preserved' started successfully
+8:
+8:
+8: MOPAC Job: "Check_that_TERs_are_preserved.mop" ended normally on Feb 26, 2026, at 12:45.
+8:
+ 5/124 Test #23: ionize ........................... Passed 0.50 sec
+test 24
+ Start 24: salt
+
+24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SALT.mop"
+24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
+24: Test timeout computed to be: 10000000
+ 6/124 Test #10: pdb1cbn .......................... Passed 0.53 sec
test 25
Start 25: salt2
25: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SALT_2.mop"
25: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
25: Test timeout computed to be: 10000000
+13:
+13:
+13: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AT9.mop" ended normally on Feb 26, 2026, at 12:45.
+13:
+9: Thu Feb 26 12:45:53 2026 Job: 'Compare_two_protein_structures' started successfully
+ 7/124 Test #11: pdb1ejg .......................... Passed 0.56 sec
+test 15
+ Start 15: compare_add-h
+
+15: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_ADD-H_1EJG_and_1CBN.mop"
+15: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
+15: Test timeout computed to be: 10000000
+9:
+9:
+9: MOPAC Job: "Compare_two_protein_structures.mop" ended normally on Feb 26, 2026, at 12:45.
+9:
+14: Thu Feb 26 12:45:53 2026 Job: 'Au_Add-H' started successfully
12:
12:
-12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Jan 23, 2025, at 04:19.
+12: MOPAC Job: "ADD-H_Bacteriorhodopsin_1AP9.mop" ended normally on Feb 26, 2026, at 12:45.
12:
- 8/124 Test #23: ionize ........................... Passed 1.48 sec
-test 24
- Start 24: salt
+ 8/124 Test #9: compare_proteins ................. Passed 0.26 sec
+test 16
+ Start 16: pdb_compare
-24: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SALT.mop"
-24: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
-24: Test timeout computed to be: 10000000
-14:
-14:
-14: MOPAC Job: "Au_Add-H.mop" ended normally on Jan 23, 2025, at 04:19.
-14:
-3: Thu Jan 23 04:19:53 2025 Job: 'test_Lewis_for_Proteins' started successfully
- 9/124 Test #9: compare_proteins ................. Passed 0.65 sec
+16: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_1EJG_and_1CBN.mop"
+16: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
+16: Test timeout computed to be: 10000000
+ 9/124 Test #8: ters_preserved ................... Passed 0.32 sec
test 26
Start 26: residues
26: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SITE_Individual_residues.mop"
26: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
26: Test timeout computed to be: 10000000
-15: Thu Jan 23 04:19:53 2025 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully
-16: Thu Jan 23 04:19:53 2025 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully
+14:
+14:
+14: MOPAC Job: "Au_Add-H.mop" ended normally on Feb 26, 2026, at 12:45.
+14:
+3: Thu Feb 26 12:45:53 2026 Job: 'test_Lewis_for_Proteins' started successfully
+15: Thu Feb 26 12:45:53 2026 Job: 'Compare_ADD-H_1EJG_and_1CBN' started successfully
25:
25:
-25: MOPAC Job: "SALT_2.mop" ended normally on Jan 23, 2025, at 04:19.
+25: MOPAC Job: "SALT_2.mop" ended normally on Feb 26, 2026, at 12:45.
25:
+24: Thu Feb 26 12:45:53 2026 Job: 'SALT' started successfully
+22:
+22:
+22: MOPAC Job: "Locate_TS.mop" ended normally on Feb 26, 2026, at 12:45.
+22:
15:
15:
-15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Jan 23, 2025, at 04:19.
+15: MOPAC Job: "Compare_ADD-H_1EJG_and_1CBN.mop" ended normally on Feb 26, 2026, at 12:45.
15:
-24: Thu Jan 23 04:19:54 2025 Job: 'SALT' started successfully
-16:
-16:
-16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Jan 23, 2025, at 04:19.
-16:
- 10/124 Test #25: salt2 ............................ Passed 0.67 sec
+16: Thu Feb 26 12:45:53 2026 Job: 'Compare_PDB_1EJG_and_1CBN' started successfully
+26: Thu Feb 26 12:45:53 2026 Job: 'SITE_Individual_residues' started successfully
+ 10/124 Test #25: salt2 ............................ Passed 0.34 sec
test 27
Start 27: erratic-1
27: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "1.0" "erratic1.mop"
27: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
27: Test timeout computed to be: 10000000
- 11/124 Test #15: compare_add-h .................... Passed 1.02 sec
+ 11/124 Test #15: compare_add-h .................... Passed 0.31 sec
test 28
Start 28: erratic-2
28: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "1.0" "erratic2.mop"
28: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
28: Test timeout computed to be: 10000000
-26: Thu Jan 23 04:19:54 2025 Job: 'SITE_Individual_residues' started successfully
- 12/124 Test #16: pdb_compare ...................... Passed 0.99 sec
+ 12/124 Test #22: locate_ts ........................ Passed 0.47 sec
test 29
Start 29: erratic-3
29: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "1.0" "erratic3.mop"
29: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
29: Test timeout computed to be: 10000000
-22:
-22:
-22: MOPAC Job: "Locate_TS.mop" ended normally on Jan 23, 2025, at 04:19.
-22:
+16:
+16:
+16: MOPAC Job: "Compare_PDB_1EJG_and_1CBN.mop" ended normally on Feb 26, 2026, at 12:45.
+16:
+24:
+24:
+24: MOPAC Job: "SALT.mop" ended normally on Feb 26, 2026, at 12:45.
+24:
+ 13/124 Test #13: add-h2 ........................... Passed 0.98 sec
+test 30
+ Start 30: mopac-api-test
+
+30: Test command: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac-api-test
+30: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
+30: Test timeout computed to be: 10000000
+30: Passed API test 1
+30: Passed API test 2
+ 14/124 Test #24: salt ............................. Passed 0.50 sec
+test 31
+ Start 31: ag20
+
+31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ag20.mop"
+31: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
+31: Test timeout computed to be: 10000000
+30: Passed API test 3
+30: Passed API test 4
+ 15/124 Test #16: pdb_compare ...................... Passed 0.40 sec
+test 32
+ Start 32: ag20_cis_active
+
+32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop"
+32: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
+32: Test timeout computed to be: 10000000
+30: Passed API test 5
+30: Passed API test 6
+30: Passed API test 7
14: WARNING: numerical mismatch between -25.64788041 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -25.90290178 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
14: WARNING: numerical mismatch between 4.10092057 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and 4.98654585 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
14: WARNING: numerical mismatch between -1.91380926 on reference line 2039 in /build/reproducible-path/mopac-23.0.3/tests and -3.20727348 on output line 2039 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -2260,393 +2328,361 @@
14: WARNING: numerical mismatch between -19.41629408 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -19.43623781 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
14: WARNING: numerical mismatch between -8.6549534 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -8.663755 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
14: WARNING: numerical mismatch between -20.4878079 on reference line 2893 in /build/reproducible-path/mopac-23.0.3/tests and -20.48767778 on output line 2893 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-24:
-24:
-24: MOPAC Job: "SALT.mop" ended normally on Jan 23, 2025, at 04:19.
-24:
- 13/124 Test #14: add-h3 ........................... Passed 1.58 sec
-test 30
- Start 30: mopac-api-test
-
-30: Test command: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac-api-test
-30: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
-30: Test timeout computed to be: 10000000
-30: Passed API test 1
-30: Passed API test 2
-30: Passed API test 3
-30: Passed API test 4
-30: Passed API test 5
- 14/124 Test #24: salt ............................. Passed 1.08 sec
-test 31
- Start 31: ag20
-
-31: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ag20.mop"
-31: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
-31: Test timeout computed to be: 10000000
- 15/124 Test #22: locate_ts ........................ Passed 1.47 sec
-test 32
- Start 32: ag20_cis_active
-
-32: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ag20_cis_active.mop"
-32: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
-32: Test timeout computed to be: 10000000
-30: Passed API test 6
-30: Passed API test 7
- 16/124 Test #13: add-h2 ........................... Passed 2.62 sec
-test 33
- Start 33: benzene
-
-33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "benzene.mop"
-33: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
-33: Test timeout computed to be: 10000000
30: Passed API test 8
-30: Passed API test 9
-28: Thu Jan 23 04:19:54 2025 Job: 'erratic2' started successfully
-29:
-29:
-29: MOPAC Job: "erratic3.mop" ended normally on Jan 23, 2025, at 04:19.
-29:
- 17/124 Test #29: erratic-3 ........................ Passed 0.60 sec
-test 34
- Start 34: co_cas
-
-34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cas.mop"
-34: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
-34: Test timeout computed to be: 10000000
- 18/124 Test #12: add-h ............................ Passed 3.05 sec
+ 16/124 Test #12: add-h ............................ Passed 1.04 sec
test 17
Start 17: pdb_compare2
17: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" "Bacteriorhodopsin_2AT9.ent"
17: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
17: Test timeout computed to be: 10000000
-34:
-34:
-34: MOPAC Job: "co_cas.mop" ended normally on Jan 23, 2025, at 04:19.
-34:
-26:
-26:
-26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Jan 23, 2025, at 04:19.
-26:
- 19/124 Test #34: co_cas ........................... Passed 0.48 sec
+30: Passed API test 9
+28: Thu Feb 26 12:45:54 2026 Job: 'erratic2' started successfully
+29:
+29:
+29: MOPAC Job: "erratic3.mop" ended normally on Feb 26, 2026, at 12:45.
+29:
+ 17/124 Test #14: add-h3 ........................... Passed 0.73 sec
test 18
Start 18: pdb_compare3
18: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" "Bacteriorhodopsin_1C3W.ent"
18: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
18: Test timeout computed to be: 10000000
-17: Thu Jan 23 04:19:55 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully
- 20/124 Test #26: residues ......................... Passed 2.04 sec
+ 18/124 Test #29: erratic-3 ........................ Passed 0.25 sec
test 19
Start 19: pdb_compare4
19: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" "Bacteriorhodopsin_1BRX.ent"
19: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
19: Test timeout computed to be: 10000000
-33:
-33:
-33: MOPAC Job: "benzene.mop" ended normally on Jan 23, 2025, at 04:19.
-33:
-31:
-31:
-31: MOPAC Job: "ag20.mop" ended normally on Jan 23, 2025, at 04:19.
-31:
- 21/124 Test #33: benzene .......................... Passed 1.19 sec
+26:
+26:
+26: MOPAC Job: "SITE_Individual_residues.mop" ended normally on Feb 26, 2026, at 12:45.
+26:
+17: Thu Feb 26 12:45:54 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9' started successfully
+ 19/124 Test #26: residues ......................... Passed 0.64 sec
test 20
Start 20: pdb_compare5
20: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" "Bacteriorhodopsin_1BRR.ent"
20: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
20: Test timeout computed to be: 10000000
-18: Thu Jan 23 04:19:55 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully
- 22/124 Test #31: ag20 ............................. Passed 1.30 sec
+18: Thu Feb 26 12:45:54 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W' started successfully
+31:
+31:
+31: MOPAC Job: "ag20.mop" ended normally on Feb 26, 2026, at 12:45.
+31:
+19: Thu Feb 26 12:45:54 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully
+ 20/124 Test #31: ag20 ............................. Passed 0.48 sec
test 21
Start 21: pdb_compare6
21: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop"
21: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests
21: Test timeout computed to be: 10000000
-19: Thu Jan 23 04:19:56 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX' started successfully
-20: Thu Jan 23 04:19:56 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully
-21: Thu Jan 23 04:19:56 2025 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully
+20: Thu Feb 26 12:45:54 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR' started successfully
17:
17:
-17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Jan 23, 2025, at 04:19.
+17: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_2AT9.mop" ended normally on Feb 26, 2026, at 12:45.
17:
+21: Thu Feb 26 12:45:54 2026 Job: 'Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9' started successfully
19:
19:
-19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Jan 23, 2025, at 04:19.
+19: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRX.mop" ended normally on Feb 26, 2026, at 12:45.
19:
- 23/124 Test #17: pdb_compare2 ..................... Passed 1.76 sec
+ 21/124 Test #19: pdb_compare4 ..................... Passed 0.69 sec
+test 33
+ Start 33: benzene
+
+33: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "benzene.mop"
+33: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
+33: Test timeout computed to be: 10000000
+18:
+18:
+18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Feb 26, 2026, at 12:45.
+18:
+ 22/124 Test #17: pdb_compare2 ..................... Passed 0.84 sec
+test 34
+ Start 34: co_cas
+
+34: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cas.mop"
+34: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
+34: Test timeout computed to be: 10000000
+20:
+20:
+20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Feb 26, 2026, at 12:45.
+20:
+ 23/124 Test #20: pdb_compare5 ..................... Passed 0.72 sec
test 35
Start 35: co_cis
35: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis.mop"
35: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
35: Test timeout computed to be: 10000000
- 24/124 Test #19: pdb_compare4 ..................... Passed 1.37 sec
+ 24/124 Test #18: pdb_compare3 ..................... Passed 0.92 sec
test 36
Start 36: co_cis_2
36: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_2.mop"
36: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
36: Test timeout computed to be: 10000000
-35:
-35:
-35: MOPAC Job: "co_cis.mop" ended normally on Jan 23, 2025, at 04:19.
-35:
-36:
-36:
-36: MOPAC Job: "co_cis_2.mop" ended normally on Jan 23, 2025, at 04:19.
-36:
-18:
-18:
-18: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1C3W.mop" ended normally on Jan 23, 2025, at 04:19.
-18:
- 25/124 Test #35: co_cis ........................... Passed 0.68 sec
+34:
+34:
+34: MOPAC Job: "co_cas.mop" ended normally on Feb 26, 2026, at 12:45.
+34:
+ 25/124 Test #34: co_cas ........................... Passed 0.20 sec
test 37
Start 37: co_cis_PM7
37: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_PM7.mop"
37: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
37: Test timeout computed to be: 10000000
- 26/124 Test #36: co_cis_2 ......................... Passed 0.57 sec
+33:
+33:
+33: MOPAC Job: "benzene.mop" ended normally on Feb 26, 2026, at 12:45.
+33:
+ 26/124 Test #33: benzene .......................... Passed 0.37 sec
test 38
Start 38: co_cis_active
38: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_active.mop"
38: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
38: Test timeout computed to be: 10000000
-20:
-20:
-20: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1BRR.mop" ended normally on Jan 23, 2025, at 04:19.
-20:
-38:
-38:
-38: MOPAC Job: "co_cis_active.mop" ended normally on Jan 23, 2025, at 04:19.
-38:
+35:
+35:
+35: MOPAC Job: "co_cis.mop" ended normally on Feb 26, 2026, at 12:45.
+35:
+36:
+36:
+36: MOPAC Job: "co_cis_2.mop" ended normally on Feb 26, 2026, at 12:45.
+36:
37:
37:
-37: MOPAC Job: "co_cis_PM7.mop" ended normally on Jan 23, 2025, at 04:19.
+37: MOPAC Job: "co_cis_PM7.mop" ended normally on Feb 26, 2026, at 12:45.
37:
37: WARNING: numerical heat mismatch between -16.98521 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
37: WARNING: numerical mismatch between -71.06612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 27/124 Test #20: pdb_compare5 ..................... Passed 2.03 sec
+ 27/124 Test #37: co_cis_PM7 ....................... Passed 0.20 sec
test 39
Start 39: co_cis_solv
39: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_solv.mop"
39: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
39: Test timeout computed to be: 10000000
- 28/124 Test #18: pdb_compare3 ..................... Passed 2.51 sec
+ 28/124 Test #35: co_cis ........................... Passed 0.30 sec
test 40
Start 40: co_cis_tdip
40: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_tdip.mop"
40: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
40: Test timeout computed to be: 10000000
- 29/124 Test #38: co_cis_active .................... Passed 0.38 sec
+ 29/124 Test #36: co_cis_2 ......................... Passed 0.30 sec
test 41
Start 41: co_cis_trip
41: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_trip.mop"
41: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
41: Test timeout computed to be: 10000000
- 30/124 Test #37: co_cis_PM7 ....................... Passed 0.54 sec
+38:
+38:
+38: MOPAC Job: "co_cis_active.mop" ended normally on Feb 26, 2026, at 12:45.
+38:
+39:
+39:
+39: MOPAC Job: "co_cis_solv.mop" ended normally on Feb 26, 2026, at 12:45.
+39:
+ 30/124 Test #38: co_cis_active .................... Passed 0.27 sec
test 42
Start 42: co_cis_wrtconf
42: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cis_wrtconf.mop"
42: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
42: Test timeout computed to be: 10000000
+40:
+40:
+40: MOPAC Job: "co_cis_tdip.mop" ended normally on Feb 26, 2026, at 12:45.
+40:
41:
41:
-41: MOPAC Job: "co_cis_trip.mop" ended normally on Jan 23, 2025, at 04:19.
+41: MOPAC Job: "co_cis_trip.mop" ended normally on Feb 26, 2026, at 12:45.
41:
-42:
-42:
-42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Jan 23, 2025, at 04:19.
-42:
- 31/124 Test #41: co_cis_trip ...................... Passed 0.38 sec
+ 31/124 Test #39: co_cis_solv ...................... Passed 0.25 sec
test 43
Start 43: co_cisd
43: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd.mop"
43: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
43: Test timeout computed to be: 10000000
-39:
-39:
-39: MOPAC Job: "co_cis_solv.mop" ended normally on Jan 23, 2025, at 04:19.
-39:
-40:
-40:
-40: MOPAC Job: "co_cis_tdip.mop" ended normally on Jan 23, 2025, at 04:19.
-40:
- 32/124 Test #42: co_cis_wrtconf ................... Passed 0.39 sec
+ 32/124 Test #40: co_cis_tdip ...................... Passed 0.27 sec
test 44
Start 44: co_cisd_quin
44: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_quin.mop"
44: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
44: Test timeout computed to be: 10000000
- 33/124 Test #40: co_cis_tdip ...................... Passed 0.58 sec
+ 33/124 Test #41: co_cis_trip ...................... Passed 0.28 sec
test 45
Start 45: co_cisd_solv
45: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_solv.mop"
45: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
45: Test timeout computed to be: 10000000
- 34/124 Test #39: co_cis_solv ...................... Passed 0.65 sec
+42:
+42:
+42: MOPAC Job: "co_cis_wrtconf.mop" ended normally on Feb 26, 2026, at 12:45.
+42:
+44: Spin is incompatible with INDO
+44:
+44:
+44: MOPAC Job: "co_cisd_quin.mop" ended normally on Feb 26, 2026, at 12:45.
+44:
+ 34/124 Test #42: co_cis_wrtconf ................... Passed 0.27 sec
test 46
Start 46: co_cisd_trip
46: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_cisd_trip.mop"
46: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
46: Test timeout computed to be: 10000000
-44: Spin is incompatible with INDO
-44:
-44:
-44: MOPAC Job: "co_cisd_quin.mop" ended normally on Jan 23, 2025, at 04:19.
-44:
43:
- 35/124 Test #44: co_cisd_quin ..................... Passed 0.30 sec
+43:
+43: MOPAC Job: "co_cisd.mop" ended normally on Feb 26, 2026, at 12:45.
+43:
+ 35/124 Test #44: co_cisd_quin ..................... Passed 0.20 sec
test 47
Start 47: co_extern
47: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_extern.mop" "param.txt"
47: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
47: Test timeout computed to be: 10000000
-43:
-43: MOPAC Job: "co_cisd.mop" ended normally on Jan 23, 2025, at 04:19.
-43:
45:
45:
-45: MOPAC Job: "co_cisd_solv.mop" ended normally on Jan 23, 2025, at 04:19.
+45: MOPAC Job: "co_cisd_solv.mop" ended normally on Feb 26, 2026, at 12:45.
45:
- 36/124 Test #43: co_cisd .......................... Passed 0.50 sec
+ 36/124 Test #43: co_cisd .......................... Passed 0.28 sec
test 48
Start 48: co_fail
48: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_fail.mop"
48: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
48: Test timeout computed to be: 10000000
- 37/124 Test #45: co_cisd_solv ..................... Passed 0.42 sec
+ 37/124 Test #45: co_cisd_solv ..................... Passed 0.23 sec
test 49
Start 49: co_field
49: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_field.mop"
49: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
49: Test timeout computed to be: 10000000
-46:
-46:
-46: MOPAC Job: "co_cisd_trip.mop" ended normally on Jan 23, 2025, at 04:19.
-46:
-47:
-47:
-47: MOPAC Job: "co_extern.mop" ended normally on Jan 23, 2025, at 04:19.
-47:
48: FORCE is incompatible with INDO
48:
48:
-48: MOPAC Job: "co_fail.mop" ended normally on Jan 23, 2025, at 04:19.
+48: MOPAC Job: "co_fail.mop" ended normally on Feb 26, 2026, at 12:45.
48:
- 38/124 Test #46: co_cisd_trip ..................... Passed 0.61 sec
- 39/124 Test #47: co_extern ........................ Passed 0.42 sec
+49:
+49:
+49: MOPAC Job: "co_field.mop" ended normally on Feb 26, 2026, at 12:45.
+49:
+ 38/124 Test #48: co_fail .......................... Passed 0.19 sec
test 50
Start 50: co_mrci
50: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_mrci.mop"
50: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
50: Test timeout computed to be: 10000000
+46:
+46:
+46: MOPAC Job: "co_cisd_trip.mop" ended normally on Feb 26, 2026, at 12:45.
+46:
+ 39/124 Test #49: co_field ......................... Passed 0.19 sec
test 51
Start 51: co_mrci_maxci
51: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_mrci_maxci.mop"
51: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
51: Test timeout computed to be: 10000000
- 40/124 Test #48: co_fail .......................... Passed 0.39 sec
+47:
+47:
+47: MOPAC Job: "co_extern.mop" ended normally on Feb 26, 2026, at 12:45.
+47:
+ 40/124 Test #46: co_cisd_trip ..................... Passed 0.36 sec
test 52
Start 52: co_mrci_solv
52: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_mrci_solv.mop"
52: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
52: Test timeout computed to be: 10000000
-49:
-49:
-49: MOPAC Job: "co_field.mop" ended normally on Jan 23, 2025, at 04:19.
-49:
- 41/124 Test #49: co_field ......................... Passed 0.54 sec
+ 41/124 Test #47: co_extern ........................ Passed 0.40 sec
test 53
Start 53: co_pm7
53: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_pm7.mop"
53: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
53: Test timeout computed to be: 10000000
-50:
-50:
-50: MOPAC Job: "co_mrci.mop" ended normally on Jan 23, 2025, at 04:19.
-50:
51:
51:
-51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Jan 23, 2025, at 04:19.
+51: MOPAC Job: "co_mrci_maxci.mop" ended normally on Feb 26, 2026, at 12:45.
51:
-52:
-52:
-52: MOPAC Job: "co_mrci_solv.mop" ended normally on Jan 23, 2025, at 04:19.
-52:
- 42/124 Test #50: co_mrci .......................... Passed 0.52 sec
+50:
+50:
+50: MOPAC Job: "co_mrci.mop" ended normally on Feb 26, 2026, at 12:45.
+50:
+ 42/124 Test #51: co_mrci_maxci .................... Passed 0.21 sec
test 54
Start 54: co_pm7_solv
54: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_pm7_solv.mop"
54: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
54: Test timeout computed to be: 10000000
- 43/124 Test #51: co_mrci_maxci .................... Passed 0.54 sec
+ 43/124 Test #50: co_mrci .......................... Passed 0.30 sec
test 55
Start 55: co_print
55: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "co_print.mop"
55: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
55: Test timeout computed to be: 10000000
- 44/124 Test #52: co_mrci_solv ..................... Passed 0.50 sec
+52:
+52:
+52: MOPAC Job: "co_mrci_solv.mop" ended normally on Feb 26, 2026, at 12:45.
+52:
+53:
+53:
+53: MOPAC Job: "co_pm7.mop" ended normally on Feb 26, 2026, at 12:45.
+53:
+53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+54:
+54:
+54: MOPAC Job: "co_pm7_solv.mop" ended normally on Feb 26, 2026, at 12:45.
+54:
+ 44/124 Test #53: co_pm7 ........................... Passed 0.22 sec
test 56
Start 56: no_cis_quar
56: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "no_cis_quar.mop"
56: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
56: Test timeout computed to be: 10000000
-53:
-53:
-53: MOPAC Job: "co_pm7.mop" ended normally on Jan 23, 2025, at 04:19.
-53:
-53: WARNING: numerical heat mismatch between -16.98521 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -16.98542 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-53: WARNING: numerical mismatch between -71.06612 on reference line 68 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -71.06698 on output line 68 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 45/124 Test #53: co_pm7 ........................... Passed 0.37 sec
+54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 45/124 Test #52: co_mrci_solv ..................... Passed 0.31 sec
test 57
Start 57: no_mrci
57: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "no_mrci.mop"
57: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
57: Test timeout computed to be: 10000000
-54:
-54:
-54: MOPAC Job: "co_pm7_solv.mop" ended normally on Jan 23, 2025, at 04:19.
-54:
-54: WARNING: numerical heat mismatch between -19.6414 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -19.64161 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-54: WARNING: numerical mismatch between -82.17963 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/INDO-dev and -82.1805 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-55: WARNING: Specified print options may not behave as expected with INDO
-55:
-55:
-55: MOPAC Job: "co_print.mop" ended normally on Jan 23, 2025, at 04:20.
-55:
- 46/124 Test #54: co_pm7_solv ...................... Passed 0.37 sec
+ 46/124 Test #54: co_pm7_solv ...................... Passed 0.22 sec
test 58
Start 58: noparam
58: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "noparam.mop"
58: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
58: Test timeout computed to be: 10000000
- 47/124 Test #55: co_print ......................... Passed 0.42 sec
+55: WARNING: Specified print options may not behave as expected with INDO
+55:
+55:
+55: MOPAC Job: "co_print.mop" ended normally on Feb 26, 2026, at 12:45.
+55:
+ 47/124 Test #55: co_print ......................... Passed 0.24 sec
test 59
Start 59: poly_c8
@@ -2655,186 +2691,186 @@
59: Test timeout computed to be: 10000000
56:
56:
-56: MOPAC Job: "no_cis_quar.mop" ended normally on Jan 23, 2025, at 04:20.
+56: MOPAC Job: "no_cis_quar.mop" ended normally on Feb 26, 2026, at 12:45.
56:
- 48/124 Test #56: no_cis_quar ...................... Passed 0.59 sec
+58:
+58:
+58: MOPAC Job: "noparam.mop" ended normally on Feb 26, 2026, at 12:45.
+58:
+ 48/124 Test #56: no_cis_quar ...................... Passed 0.25 sec
test 60
Start 60: poly_c8_mr
60: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/INDO-dev" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "poly_c8_mr.mop"
60: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/INDO-dev
60: Test timeout computed to be: 10000000
-57:
-57:
-57: MOPAC Job: "no_mrci.mop" ended normally on Jan 23, 2025, at 04:20.
-57:
-58:
-58:
-58: MOPAC Job: "noparam.mop" ended normally on Jan 23, 2025, at 04:20.
-58:
- 49/124 Test #57: no_mrci .......................... Passed 0.72 sec
+32:
+32:
+32: MOPAC Job: "ag20_cis_active.mop" ended normally on Feb 26, 2026, at 12:45.
+32:
+ 49/124 Test #58: noparam .......................... Passed 0.22 sec
test 61
Start 61: key-ampersand
61: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ampersand.mop"
61: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
61: Test timeout computed to be: 10000000
- 50/124 Test #58: noparam .......................... Passed 0.63 sec
+57:
+57:
+57: MOPAC Job: "no_mrci.mop" ended normally on Feb 26, 2026, at 12:45.
+57:
+21:
+21:
+21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Feb 26, 2026, at 12:45.
+21:
+ 50/124 Test #57: no_mrci .......................... Passed 0.34 sec
test 62
Start 62: key-plus
62: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "plus.mop"
62: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
62: Test timeout computed to be: 10000000
+ 51/124 Test #32: ag20_cis_active .................. Passed 2.74 sec
+test 63
+ Start 63: key-plusplus
+
+63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "plusplus.mop"
+63: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+63: Test timeout computed to be: 10000000
+ 52/124 Test #21: pdb_compare6 ..................... Passed 2.37 sec
+test 64
+ Start 64: key-0SCF
+
+64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "0SCF.mop"
+64: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+64: Test timeout computed to be: 10000000
61:
61:
-61: MOPAC Job: "ampersand.mop" ended normally on Jan 23, 2025, at 04:20.
+61: MOPAC Job: "ampersand.mop" ended normally on Feb 26, 2026, at 12:45.
61:
+62:
+62:
+62: MOPAC Job: "plus.mop" ended normally on Feb 26, 2026, at 12:45.
+62:
61: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
61: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
61: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
61: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
61: WARNING: numerical heat mismatch between -77.16706 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
61: WARNING: numerical mismatch between -322.86699 on reference line 352 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 352 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-62:
-62:
-62: MOPAC Job: "plus.mop" ended normally on Jan 23, 2025, at 04:20.
-62:
62: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
62: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
62: WARNING: numerical heat mismatch between -77.16706 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
62: WARNING: numerical mismatch between -322.86699 on reference line 211 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 211 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
62: WARNING: numerical heat mismatch between -77.16706 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
62: WARNING: numerical mismatch between -322.86699 on reference line 353 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 353 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 51/124 Test #61: key-ampersand .................... Passed 0.75 sec
-test 63
- Start 63: key-plusplus
+ 53/124 Test #61: key-ampersand .................... Passed 0.28 sec
+test 65
+ Start 65: key-1ELECTRON
-63: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "plusplus.mop"
-63: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-63: Test timeout computed to be: 10000000
- 52/124 Test #62: key-plus ......................... Passed 0.68 sec
-test 64
- Start 64: key-0SCF
+65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "1ELECTRON.mop"
+65: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+65: Test timeout computed to be: 10000000
+ 54/124 Test #62: key-plus ......................... Passed 0.22 sec
+test 66
+ Start 66: key-1SCF
-64: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "0SCF.mop"
-64: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-64: Test timeout computed to be: 10000000
+66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "1SCF.mop"
+66: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+66: Test timeout computed to be: 10000000
63:
63:
-63: MOPAC Job: "plusplus.mop" ended normally on Jan 23, 2025, at 04:20.
+63: MOPAC Job: "plusplus.mop" ended normally on Feb 26, 2026, at 12:45.
63:
-64:
-64:
-64: MOPAC Job: "0SCF.mop" ended normally on Jan 23, 2025, at 04:20.
-64:
63: WARNING: numerical heat mismatch between -77.16706 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
63: WARNING: numerical mismatch between -322.86699 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
63: WARNING: numerical heat mismatch between -77.16706 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
63: WARNING: numerical mismatch between -322.86699 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
63: WARNING: numerical heat mismatch between -77.16706 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
63: WARNING: numerical mismatch between -322.86699 on reference line 350 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 350 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+64:
+64:
+64: MOPAC Job: "0SCF.mop" ended normally on Feb 26, 2026, at 12:45.
+64:
+ 55/124 Test #63: key-plusplus ..................... Passed 0.30 sec
+test 67
+ Start 67: key-A0
+
+67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "A0.mop"
+67: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+67: Test timeout computed to be: 10000000
64: WARNING: numerical heat mismatch between -77.16706 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
64: WARNING: numerical mismatch between -322.86699 on reference line 69 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 69 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
64: WARNING: numerical heat mismatch between -77.16706 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -77.16737 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
64: WARNING: numerical mismatch between -322.86699 on reference line 264 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -322.86826 on output line 264 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 53/124 Test #64: key-0SCF ......................... Passed 0.43 sec
-test 65
- Start 65: key-1ELECTRON
-
-65: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "1ELECTRON.mop"
-65: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-65: Test timeout computed to be: 10000000
- 54/124 Test #63: key-plusplus ..................... Passed 0.50 sec
-test 66
- Start 66: key-1SCF
+ 56/124 Test #64: key-0SCF ......................... Passed 0.26 sec
+test 68
+ Start 68: key-AIGIN
-66: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "1SCF.mop"
-66: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-66: Test timeout computed to be: 10000000
+68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "AIGIN.mop"
+68: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+68: Test timeout computed to be: 10000000
65:
65:
-65: MOPAC Job: "1ELECTRON.mop" ended normally on Jan 23, 2025, at 04:20.
+65: MOPAC Job: "1ELECTRON.mop" ended normally on Feb 26, 2026, at 12:45.
65:
65: WARNING: numerical heat mismatch between -84.51541 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
65: WARNING: numerical mismatch between -353.61248 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
65: WARNING: numerical heat mismatch between -84.51541 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
65: WARNING: numerical mismatch between -353.61248 on reference line 234 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 234 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 55/124 Test #65: key-1ELECTRON .................... Passed 0.38 sec
-test 67
- Start 67: key-A0
-
-67: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "A0.mop"
-67: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-67: Test timeout computed to be: 10000000
66:
66:
-66: MOPAC Job: "1SCF.mop" ended normally on Jan 23, 2025, at 04:20.
+66: MOPAC Job: "1SCF.mop" ended normally on Feb 26, 2026, at 12:45.
66:
66: WARNING: numerical heat mismatch between -84.34612 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.34643 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
66: WARNING: numerical mismatch between -352.90418 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -352.90546 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 56/124 Test #66: key-1SCF ......................... Passed 0.58 sec
-test 68
- Start 68: key-AIGIN
-
-68: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "AIGIN.mop"
-68: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-68: Test timeout computed to be: 10000000
-67:
-67:
-67: MOPAC Job: "A0.mop" ended normally on Jan 23, 2025, at 04:20.
-67:
-67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 57/124 Test #67: key-A0 ........................... Passed 0.34 sec
+ 57/124 Test #65: key-1ELECTRON .................... Passed 0.27 sec
test 69
Start 69: key-AIGOUT
69: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "AIGOUT.mop"
69: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
69: Test timeout computed to be: 10000000
-32:
-32:
-32: MOPAC Job: "ag20_cis_active.mop" ended normally on Jan 23, 2025, at 04:20.
-32:
-28:
-28:
-28: MOPAC Job: "erratic2.mop" ended normally on Jan 23, 2025, at 04:20.
-28:
-69:
-69:
-69: MOPAC Job: "AIGOUT.mop" ended normally on Jan 23, 2025, at 04:20.
-69:
-69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-68:
-68:
-68: MOPAC Job: "AIGIN.mop" ended normally on Jan 23, 2025, at 04:20.
-68:
-68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 58/124 Test #32: ag20_cis_active .................. Passed 8.26 sec
+67:
+67:
+67: MOPAC Job: "A0.mop" ended normally on Feb 26, 2026, at 12:45.
+67:
+67: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51571 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+67: WARNING: numerical mismatch between -353.61246 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61374 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 58/124 Test #66: key-1SCF ......................... Passed 0.32 sec
test 70
Start 70: key-ALLBONDS
70: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ALLBONDS.mop"
70: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
70: Test timeout computed to be: 10000000
- 59/124 Test #69: key-AIGOUT ....................... Passed 0.43 sec
+68:
+68:
+68: MOPAC Job: "AIGIN.mop" ended normally on Feb 26, 2026, at 12:45.
+68:
+ 59/124 Test #67: key-A0 ........................... Passed 0.26 sec
test 71
Start 71: key-ALLVEC
71: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ALLVEC.mop"
71: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
71: Test timeout computed to be: 10000000
- 60/124 Test #28: erratic-2 ........................ Passed 8.84 sec
+68: WARNING: numerical heat mismatch between -18.19788 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+68: WARNING: numerical mismatch between -76.13994 on reference line 106 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 106 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 60/124 Test #68: key-AIGIN ........................ Passed 0.25 sec
test 72
Start 72: key-AM1
72: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "AM1.mop"
72: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
72: Test timeout computed to be: 10000000
- 61/124 Test #68: key-AIGIN ........................ Passed 0.73 sec
+69:
+69:
+69: MOPAC Job: "AIGOUT.mop" ended normally on Feb 26, 2026, at 12:45.
+69:
+69: WARNING: numerical heat mismatch between -18.19788 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+69: WARNING: numerical mismatch between -76.13994 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 61/124 Test #69: key-AIGOUT ....................... Passed 0.24 sec
test 73
Start 73: key-ANGSTROMS
@@ -2843,211 +2879,186 @@
73: Test timeout computed to be: 10000000
71:
71:
-71: MOPAC Job: "ALLVEC.mop" ended normally on Jan 23, 2025, at 04:20.
+71: MOPAC Job: "ALLVEC.mop" ended normally on Feb 26, 2026, at 12:45.
71:
71: WARNING: numerical heat mismatch between -18.19788 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
71: WARNING: numerical mismatch between -76.13994 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
71: WARNING: numerical heat mismatch between -18.19788 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19844 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
71: WARNING: numerical mismatch between -76.13994 on reference line 262 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.14227 on output line 262 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 62/124 Test #71: key-ALLVEC ....................... Passed 0.42 sec
+70:
+70:
+70: MOPAC Job: "ALLBONDS.mop" ended normally on Feb 26, 2026, at 12:45.
+70:
+72:
+72:
+72: MOPAC Job: "AM1.mop" ended normally on Feb 26, 2026, at 12:45.
+72:
+72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+28:
+28:
+28: MOPAC Job: "erratic2.mop" ended normally on Feb 26, 2026, at 12:45.
+28:
+ 62/124 Test #71: key-ALLVEC ....................... Passed 0.30 sec
test 74
Start 74: key-AUTOSYM
74: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "AUTOSYM.mop"
74: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
74: Test timeout computed to be: 10000000
-70:
-70:
-70: MOPAC Job: "ALLBONDS.mop" ended normally on Jan 23, 2025, at 04:20.
-70:
70: WARNING: numerical heat mismatch between -18.19689 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
70: WARNING: numerical mismatch between -76.13581 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
70: WARNING: numerical heat mismatch between -18.19689 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
70: WARNING: numerical mismatch between -76.13581 on reference line 252 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 252 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
70: WARNING: numerical heat mismatch between -18.19689 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -18.19745 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
70: WARNING: numerical mismatch between -76.13581 on reference line 426 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -76.13814 on output line 426 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-72:
-72:
-72: MOPAC Job: "AM1.mop" ended normally on Jan 23, 2025, at 04:20.
-72:
-72: WARNING: numerical heat mismatch between -79.8614 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -79.86171 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-72: WARNING: numerical mismatch between -334.1401 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -334.14139 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-21:
-21:
-21: MOPAC Job: "Compare_PDB_Bacteriorhodopsin_1AP9_and_1AT9.mop" ended normally on Jan 23, 2025, at 04:20.
-21:
- 63/124 Test #70: key-ALLBONDS ..................... Passed 0.65 sec
+ 63/124 Test #72: key-AM1 .......................... Passed 0.27 sec
test 75
Start 75: key-BIRADICAL
75: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "BIRADICAL.mop"
75: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
75: Test timeout computed to be: 10000000
-73:
-73:
-73: MOPAC Job: "ANGSTROMS.mop" ended normally on Jan 23, 2025, at 04:20.
-73:
-73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 64/124 Test #72: key-AM1 .......................... Passed 0.49 sec
+ 64/124 Test #70: key-ALLBONDS ..................... Passed 0.38 sec
test 76
Start 76: key-CdotAdotSdot
76: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CdotAdotSdot.mop"
76: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
76: Test timeout computed to be: 10000000
- 65/124 Test #73: key-ANGSTROMS .................... Passed 0.58 sec
+73:
+73:
+73: MOPAC Job: "ANGSTROMS.mop" ended normally on Feb 26, 2026, at 12:45.
+73:
+30: Passed API test 10
+ 65/124 Test #30: mopac-api-test ................... Passed 3.70 sec
test 77
Start 77: key-CdotIdot
77: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CdotIdot.mop"
77: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
77: Test timeout computed to be: 10000000
- 66/124 Test #21: pdb_compare6 ..................... Passed 7.78 sec
+73: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+73: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 66/124 Test #28: erratic-2 ........................ Passed 3.82 sec
test 78
Start 78: key-CdotIdotDdot
78: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CdotIdotDdot.mop"
78: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
78: Test timeout computed to be: 10000000
-74:
-74:
-74: MOPAC Job: "AUTOSYM.mop" ended normally on Jan 23, 2025, at 04:20.
-74:
-74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 67/124 Test #74: key-AUTOSYM ...................... Passed 0.64 sec
+ 67/124 Test #73: key-ANGSTROMS .................... Passed 0.26 sec
test 79
Start 79: key-CHARGE
79: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CHARGE.mop"
79: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
79: Test timeout computed to be: 10000000
+74:
+74:
+74: MOPAC Job: "AUTOSYM.mop" ended normally on Feb 26, 2026, at 12:45.
+74:
+74: WARNING: numerical heat mismatch between 22.9565 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 22.95541 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+74: WARNING: numerical mismatch between 96.05001 on reference line 102 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 96.04545 on output line 102 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 68/124 Test #74: key-AUTOSYM ...................... Passed 0.25 sec
+test 80
+ Start 80: key-CIS
+
+80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CIS.mop"
+80: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+80: Test timeout computed to be: 10000000
+59:
+59:
+59: MOPAC Job: "poly_c8.mop" ended normally on Feb 26, 2026, at 12:45.
+59:
77:
77:
-77: MOPAC Job: "CdotIdot.mop" ended normally on Jan 23, 2025, at 04:20.
+77: MOPAC Job: "CdotIdot.mop" ended normally on Feb 26, 2026, at 12:45.
77:
+79:
+79:
+79: MOPAC Job: "CHARGE.mop" ended normally on Feb 26, 2026, at 12:45.
+79:
+79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical heat mismatch between 14.6638 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical mismatch between 61.35332 on reference line 76 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 76 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical heat mismatch between 8.74306 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical mismatch between 36.58098 on reference line 235 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 235 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical heat mismatch between 8.74306 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
77: WARNING: numerical mismatch between 36.58098 on reference line 394 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 394 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 68/124 Test #77: key-CdotIdot ..................... Passed 0.47 sec
-test 80
- Start 80: key-CIS
-
-80: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CIS.mop"
-80: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-80: Test timeout computed to be: 10000000
78:
78:
-78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Jan 23, 2025, at 04:20.
+78: MOPAC Job: "CdotIdotDdot.mop" ended normally on Feb 26, 2026, at 12:45.
78:
- 69/124 Test #78: key-CdotIdotDdot ................. Passed 0.58 sec
+ 69/124 Test #77: key-CdotIdot ..................... Passed 0.29 sec
test 81
Start 81: key-CISD
81: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CISD.mop"
81: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
81: Test timeout computed to be: 10000000
-79:
-79:
-79: MOPAC Job: "CHARGE.mop" ended normally on Jan 23, 2025, at 04:20.
-79:
-79: WARNING: numerical mismatch between 869.38904 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 869.38917 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-79: WARNING: numerical heat mismatch between 360.4549 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 360.45506 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-79: WARNING: numerical mismatch between 1508.14332 on reference line 210 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1508.14397 on output line 210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-79: WARNING: numerical mismatch between 981.81163 on reference line 359 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 981.81185 on output line 359 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 70/124 Test #79: key-CHARGE ....................... Passed 0.47 sec
+ 70/124 Test #59: poly_c8 .......................... Passed 1.42 sec
test 82
Start 82: key-CISDT
82: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "CISDT.mop"
82: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
82: Test timeout computed to be: 10000000
-80:
-80:
-80: MOPAC Job: "CIS.mop" ended normally on Jan 23, 2025, at 04:20.
-80:
-75:
-75:
-75: MOPAC Job: "BIRADICAL.mop" ended normally on Jan 23, 2025, at 04:20.
-75:
-80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-81:
-81:
-81: MOPAC Job: "CISD.mop" ended normally on Jan 23, 2025, at 04:20.
-81:
-81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 71/124 Test #80: key-CIS .......................... Passed 0.59 sec
+ 71/124 Test #79: key-CHARGE ....................... Passed 0.26 sec
test 83
Start 83: key-DISP
83: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "DISP.mop"
83: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
83: Test timeout computed to be: 10000000
- 72/124 Test #75: key-BIRADICAL .................... Passed 1.23 sec
+ 72/124 Test #78: key-CdotIdotDdot ................. Passed 0.33 sec
test 84
Start 84: key-DOUBLET
84: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "DOUBLET.mop"
84: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
84: Test timeout computed to be: 10000000
- 73/124 Test #81: key-CISD ......................... Passed 0.55 sec
+80:
+80:
+80: MOPAC Job: "CIS.mop" ended normally on Feb 26, 2026, at 12:45.
+80:
+80: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+80: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+80: WARNING: numerical heat mismatch between 14.6638 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 14.66335 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+80: WARNING: numerical mismatch between 61.35332 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 61.35146 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+75:
+75:
+75: MOPAC Job: "BIRADICAL.mop" ended normally on Feb 26, 2026, at 12:45.
+75:
+75: WARNING: numerical heat mismatch between 86.55356 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+75: WARNING: numerical mismatch between 362.14011 on reference line 118 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 118 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+75: WARNING: numerical heat mismatch between 86.55356 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 86.55281 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+75: WARNING: numerical mismatch between 362.14011 on reference line 334 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 362.13696 on output line 334 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 73/124 Test #80: key-CIS .......................... Passed 0.26 sec
test 85
Start 85: key-EXTERNAL
85: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "EXTERNAL.mop" "EXTERNAL.dat"
85: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
85: Test timeout computed to be: 10000000
-84:
-84:
-84: MOPAC Job: "DOUBLET.mop" ended normally on Jan 23, 2025, at 04:20.
-84:
-84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20324 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20324 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 74/124 Test #84: key-DOUBLET ...................... Passed 0.33 sec
+ 74/124 Test #75: key-BIRADICAL .................... Passed 0.52 sec
test 86
Start 86: key-EXTERNAL-2
86: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "EXTERNAL_2.mop"
86: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
86: Test timeout computed to be: 10000000
-30: Passed API test 10
- 75/124 Test #30: mopac-api-test ................... Passed 10.62 sec
-test 87
- Start 87: key-INDO
-
-87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "INDO.mop"
-87: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-87: Test timeout computed to be: 10000000
-85:
-85:
-85: MOPAC Job: "EXTERNAL.mop" ended normally on Jan 23, 2025, at 04:20.
-85:
+81:
+81:
+81: MOPAC Job: "CISD.mop" ended normally on Feb 26, 2026, at 12:45.
+81:
83:
83:
-83: MOPAC Job: "DISP.mop" ended normally on Jan 23, 2025, at 04:20.
+83: MOPAC Job: "DISP.mop" ended normally on Feb 26, 2026, at 12:45.
83:
-86:
-86:
-86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Jan 23, 2025, at 04:20.
-86:
83: WARNING: numerical heat mismatch between -192.3822 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
83: WARNING: numerical mismatch between -804.92711 on reference line 86 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -804.93045 on output line 86 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
83: WARNING: numerical mismatch between -33809.56058 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -33809.58819 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3064,242 +3075,90 @@
83: WARNING: numerical mismatch between -192.3822 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -192.38299 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
83: WARNING: numerical mismatch between -4519.7709 on reference line 304 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -4519.77115 on output line 304 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
83: WARNING: numerical mismatch between 3053.64839 on reference line 305 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 3053.64864 on output line 305 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-87:
-87:
-87: MOPAC Job: "INDO.mop" ended normally on Jan 23, 2025, at 04:20.
-87:
- 76/124 Test #85: key-EXTERNAL ..................... Passed 0.62 sec
+81: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+81: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+81: WARNING: numerical heat mismatch between 7.85711 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.85666 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+81: WARNING: numerical mismatch between 32.87415 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.87228 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84:
+84:
+84: MOPAC Job: "DOUBLET.mop" ended normally on Feb 26, 2026, at 12:45.
+84:
+ 75/124 Test #83: key-DISP ......................... Passed 0.25 sec
+test 87
+ Start 87: key-INDO
+
+87: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "INDO.mop"
+87: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+87: Test timeout computed to be: 10000000
+ 76/124 Test #81: key-CISD ......................... Passed 0.29 sec
test 88
Start 88: key-MAXCI
88: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MAXCI.mop"
88: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
88: Test timeout computed to be: 10000000
- 77/124 Test #86: key-EXTERNAL-2 ................... Passed 0.37 sec
+84: WARNING: numerical mismatch between 463.20296 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20324 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84: WARNING: numerical mismatch between 463.20296 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 463.20324 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84: WARNING: numerical mismatch between 580.44941 on reference line 371 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 371 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84: WARNING: numerical mismatch between 580.44941 on reference line 503 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 503 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84: WARNING: numerical mismatch between 580.44941 on reference line 638 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 638 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+84: WARNING: numerical mismatch between 580.44941 on reference line 801 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 580.44979 on output line 801 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+85:
+85:
+85: MOPAC Job: "EXTERNAL.mop" ended normally on Feb 26, 2026, at 12:45.
+85:
+ 77/124 Test #84: key-DOUBLET ...................... Passed 0.30 sec
test 89
Start 89: key-MECI
89: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MECI.mop"
89: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
89: Test timeout computed to be: 10000000
- 78/124 Test #83: key-DISP ......................... Passed 0.76 sec
+86:
+86:
+86: MOPAC Job: "EXTERNAL_2.mop" ended normally on Feb 26, 2026, at 12:45.
+86:
+ 78/124 Test #85: key-EXTERNAL ..................... Passed 0.24 sec
test 90
Start 90: key-MNDO
90: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MNDO.mop"
90: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
90: Test timeout computed to be: 10000000
- 79/124 Test #87: key-INDO ......................... Passed 0.37 sec
+ 79/124 Test #86: key-EXTERNAL-2 ................... Passed 0.24 sec
test 91
Start 91: key-MNDOD
91: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MNDOD.mop"
91: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
91: Test timeout computed to be: 10000000
-89:
-89:
-89: MOPAC Job: "MECI.mop" ended normally on Jan 23, 2025, at 04:20.
-89:
-89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
88:
88:
-88: MOPAC Job: "MAXCI.mop" ended normally on Jan 23, 2025, at 04:20.
+88: MOPAC Job: "MAXCI.mop" ended normally on Feb 26, 2026, at 12:45.
88:
-90:
-90:
-90: MOPAC Job: "MNDO.mop" ended normally on Jan 23, 2025, at 04:20.
-90:
-91:
-91:
-91: MOPAC Job: "MNDOD.mop" ended normally on Jan 23, 2025, at 04:20.
-91:
-90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 80/124 Test #89: key-MECI ......................... Passed 0.42 sec
+87:
+87:
+87: MOPAC Job: "INDO.mop" ended normally on Feb 26, 2026, at 12:45.
+87:
+ 80/124 Test #88: key-MAXCI ........................ Passed 0.21 sec
test 92
Start 92: key-MRCI
92: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MRCI.mop"
92: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
92: Test timeout computed to be: 10000000
- 81/124 Test #88: key-MAXCI ........................ Passed 0.49 sec
-test 93
- Start 93: key-MS
-
-93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MS.mop"
-93: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-93: Test timeout computed to be: 10000000
- 82/124 Test #90: key-MNDO ......................... Passed 0.52 sec
- 83/124 Test #91: key-MNDOD ........................ Passed 0.48 sec
-test 94
- Start 94: key-NOANCI
-
-94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NOANCI.mop"
-94: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-94: Test timeout computed to be: 10000000
-test 95
- Start 95: key-NONET
-
-95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NONET.mop"
-95: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-95: Test timeout computed to be: 10000000
-76:
-76:
-76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Jan 23, 2025, at 04:20.
-76:
-93:
-93:
-93: MOPAC Job: "MS.mop" ended normally on Jan 23, 2025, at 04:20.
-93:
- 84/124 Test #76: key-CdotAdotSdot ................. Passed 2.72 sec
-test 96
- Start 96: key-NOSYM
-
-96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NOSYM.mop"
-96: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-96: Test timeout computed to be: 10000000
-94:
-94:
-94: MOPAC Job: "NOANCI.mop" ended normally on Jan 23, 2025, at 04:20.
-94:
-94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 85/124 Test #93: key-MS ........................... Passed 0.42 sec
-test 97
- Start 97: key-OCTET
-
-97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "OCTET.mop"
-97: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-97: Test timeout computed to be: 10000000
-95:
-95:
-95: MOPAC Job: "NONET.mop" ended normally on Jan 23, 2025, at 04:20.
-95:
-95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 86/124 Test #94: key-NOANCI ....................... Passed 0.43 sec
-test 98
- Start 98: key-OPEN
-
-98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "OPEN.mop"
-98: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-98: Test timeout computed to be: 10000000
- 87/124 Test #95: key-NONET ........................ Passed 0.44 sec
-test 99
- Start 99: key-PECI
-
-99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PECI.mop"
-99: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-99: Test timeout computed to be: 10000000
-92:
-92:
-92: MOPAC Job: "MRCI.mop" ended normally on Jan 23, 2025, at 04:20.
-92:
-96:
-96:
-96: MOPAC Job: "NOSYM.mop" ended normally on Jan 23, 2025, at 04:20.
-96:
-99:
-99:
-99: MOPAC Job: "PECI.mop" ended normally on Jan 23, 2025, at 04:20.
-99:
- 88/124 Test #92: key-MRCI ......................... Passed 0.89 sec
-test 100
- Start 100: key-PM3
-
-100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM3.mop"
-100: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-100: Test timeout computed to be: 10000000
-99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97:
-97:
-97: MOPAC Job: "OCTET.mop" ended normally on Jan 23, 2025, at 04:20.
-97:
-97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 89/124 Test #99: key-PECI ......................... Passed 0.41 sec
-test 101
- Start 101: key-PM6
-
-101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6.mop"
-101: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-101: Test timeout computed to be: 10000000
-98:
-98:
-98: MOPAC Job: "OPEN.mop" ended normally on Jan 23, 2025, at 04:20.
-98:
- 90/124 Test #97: key-OCTET ........................ Passed 0.62 sec
-test 102
- Start 102: key-PM6-D3
-
-102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3.mop"
-102: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-102: Test timeout computed to be: 10000000
- 91/124 Test #96: key-NOSYM ........................ Passed 0.70 sec
-test 103
- Start 103: key-PM6-D3H4
-
-103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop"
-103: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-103: Test timeout computed to be: 10000000
-98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-102:
-102:
-102: MOPAC Job: "PM6-D3.mop" ended normally on Jan 23, 2025, at 04:20.
-102:
-102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 92/124 Test #98: key-OPEN ......................... Passed 0.74 sec
-test 104
- Start 104: key-PM6-D3H4X
-
-104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop"
-104: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-104: Test timeout computed to be: 10000000
-100:
-100:
-100: MOPAC Job: "PM3.mop" ended normally on Jan 23, 2025, at 04:20.
-100:
-100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 93/124 Test #102: key-PM6-D3 ....................... Passed 0.24 sec
-test 105
- Start 105: key-PM6-DHplus
-
-105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop"
-105: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-105: Test timeout computed to be: 10000000
27:
27:
-27: MOPAC Job: "erratic1.mop" ended normally on Jan 23, 2025, at 04:20.
+27: MOPAC Job: "erratic1.mop" ended normally on Feb 26, 2026, at 12:45.
27:
-59:
-59:
-59: MOPAC Job: "poly_c8.mop" ended normally on Jan 23, 2025, at 04:20.
-59:
+89:
+89:
+89: MOPAC Job: "MECI.mop" ended normally on Feb 26, 2026, at 12:45.
+89:
+90:
+90:
+90: MOPAC Job: "MNDO.mop" ended normally on Feb 26, 2026, at 12:45.
+90:
27: WARNING: numerical heat mismatch between -167.66206 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -167.67543 on output line 385 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -701.49806 on reference line 360 in /build/reproducible-path/mopac-23.0.3/tests and -701.55399 on output line 385 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -62312.34782 on reference line 362 in /build/reproducible-path/mopac-23.0.3/tests and -62312.35766 on output line 387 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3662,6 +3521,9 @@
27: WARNING: numerical mismatch between -2306.0618 on reference line 579 in /build/reproducible-path/mopac-23.0.3/tests and -2306.0681 on output line 604 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -391.1003 on reference line 583 in /build/reproducible-path/mopac-23.0.3/tests and -391.0993 on output line 608 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -162.9682 on reference line 584 in /build/reproducible-path/mopac-23.0.3/tests and -162.9681 on output line 609 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+89: WARNING: numerical heat mismatch between 8.74306 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.74262 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+89: WARNING: numerical mismatch between 36.58098 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.57911 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 81/124 Test #87: key-INDO ......................... Passed 0.32 sec
27: WARNING: numerical mismatch between -554.0685 on reference line 586 in /build/reproducible-path/mopac-23.0.3/tests and -554.0674 on output line 611 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between 13473.4859 on reference line 588 in /build/reproducible-path/mopac-23.0.3/tests and 13472.1073 on output line 613 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -27163.3213 on reference line 589 in /build/reproducible-path/mopac-23.0.3/tests and -27160.5535 on output line 614 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3669,131 +3531,309 @@
27: WARNING: numerical mismatch between 158.0111 on reference line 592 in /build/reproducible-path/mopac-23.0.3/tests and 158.016 on output line 617 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -396.0574 on reference line 594 in /build/reproducible-path/mopac-23.0.3/tests and -396.0515 on output line 619 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
27: WARNING: numerical mismatch between -2702.1191 on reference line 596 in /build/reproducible-path/mopac-23.0.3/tests and -2702.1196 on output line 621 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+90: WARNING: numerical heat mismatch between -75.10973 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -75.11002 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+90: WARNING: numerical mismatch between -314.25912 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -314.26034 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+test 93
+ Start 93: key-MS
+
+93: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "MS.mop"
+93: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+93: Test timeout computed to be: 10000000
+ 82/124 Test #89: key-MECI ......................... Passed 0.27 sec
+test 94
+ Start 94: key-NOANCI
+
+94: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NOANCI.mop"
+94: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+94: Test timeout computed to be: 10000000
+ 83/124 Test #90: key-MNDO ......................... Passed 0.24 sec
+test 95
+ Start 95: key-NONET
+
+95: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NONET.mop"
+95: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+95: Test timeout computed to be: 10000000
+91:
+91:
+91: MOPAC Job: "MNDOD.mop" ended normally on Feb 26, 2026, at 12:45.
+91:
+76:
+76:
+76: MOPAC Job: "CdotAdotSdot.mop" ended normally on Feb 26, 2026, at 12:45.
+76:
+ 84/124 Test #27: erratic-1 ........................ Passed 4.74 sec
+test 96
+ Start 96: key-NOSYM
+
+96: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "NOSYM.mop"
+96: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+96: Test timeout computed to be: 10000000
+ 85/124 Test #91: key-MNDOD ........................ Passed 0.25 sec
+test 97
+ Start 97: key-OCTET
+
+97: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "OCTET.mop"
+97: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+97: Test timeout computed to be: 10000000
+ 86/124 Test #76: key-CdotAdotSdot ................. Passed 1.02 sec
+test 98
+ Start 98: key-OPEN
+
+98: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "OPEN.mop"
+98: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+98: Test timeout computed to be: 10000000
+93:
+93:
+93: MOPAC Job: "MS.mop" ended normally on Feb 26, 2026, at 12:45.
+93:
+94:
+94:
+94: MOPAC Job: "NOANCI.mop" ended normally on Feb 26, 2026, at 12:45.
+94:
+92:
+92:
+92: MOPAC Job: "MRCI.mop" ended normally on Feb 26, 2026, at 12:45.
+92:
+94: WARNING: numerical mismatch between 32.92723 on reference line 84 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 84 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+94: WARNING: numerical mismatch between 32.92723 on reference line 236 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92688 on output line 236 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+96:
+96:
+96: MOPAC Job: "NOSYM.mop" ended normally on Feb 26, 2026, at 12:45.
+96:
+ 87/124 Test #93: key-MS ........................... Passed 0.23 sec
+test 99
+ Start 99: key-PECI
+
+99: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PECI.mop"
+99: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+99: Test timeout computed to be: 10000000
+96: WARNING: numerical heat mismatch between -14.38448 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+96: WARNING: numerical mismatch between -60.18468 on reference line 77 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 77 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+96: WARNING: numerical heat mismatch between -14.38448 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.38481 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+96: WARNING: numerical mismatch between -60.18468 on reference line 320 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.18604 on output line 320 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 88/124 Test #94: key-NOANCI ....................... Passed 0.23 sec
+test 100
+ Start 100: key-PM3
+
+100: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM3.mop"
+100: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+100: Test timeout computed to be: 10000000
+95:
+95:
+95: MOPAC Job: "NONET.mop" ended normally on Feb 26, 2026, at 12:45.
+95:
+97:
+97:
+97: MOPAC Job: "OCTET.mop" ended normally on Feb 26, 2026, at 12:45.
+97:
+ 89/124 Test #96: key-NOSYM ........................ Passed 0.25 sec
+test 101
+ Start 101: key-PM6
+
+101: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6.mop"
+101: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+101: Test timeout computed to be: 10000000
+95: WARNING: numerical heat mismatch between 1889.18768 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical mismatch between 7904.36124 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical heat mismatch between 1889.18768 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical mismatch between 7904.36124 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical heat mismatch between 1889.18768 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical mismatch between 7904.36124 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical heat mismatch between 1889.18768 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1889.18921 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+95: WARNING: numerical mismatch between 7904.36124 on reference line 536 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7904.36764 on output line 536 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 90/124 Test #92: key-MRCI ......................... Passed 0.40 sec
+test 102
+ Start 102: key-PM6-D3
+
+102: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3.mop"
+102: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+102: Test timeout computed to be: 10000000
+97: WARNING: numerical heat mismatch between 2654.15927 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical mismatch between 11105.0024 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical heat mismatch between 2654.15927 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical mismatch between 11105.0024 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical heat mismatch between 2654.15927 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical mismatch between 11105.0024 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical heat mismatch between 2654.15927 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2654.16139 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+97: WARNING: numerical mismatch between 11105.0024 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 11105.01124 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+98:
+98:
+98: MOPAC Job: "OPEN.mop" ended normally on Feb 26, 2026, at 12:45.
+98:
+ 91/124 Test #97: key-OCTET ........................ Passed 0.27 sec
+test 103
+ Start 103: key-PM6-D3H4
+
+103: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4.mop"
+103: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+103: Test timeout computed to be: 10000000
+98: WARNING: numerical mismatch between 1250.10713 on reference line 88 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 88 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+98: WARNING: numerical mismatch between 1245.97296 on reference line 284 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1245.97271 on output line 284 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+98: WARNING: numerical mismatch between 1250.10713 on reference line 670 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1250.10688 on output line 670 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+98: WARNING: numerical mismatch between 1247.47435 on reference line 1042 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1247.4741 on output line 1042 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 92/124 Test #95: key-NONET ........................ Passed 0.35 sec
+test 104
+ Start 104: key-PM6-D3H4X
+
+104: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-D3H4X.mop"
+104: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+104: Test timeout computed to be: 10000000
+99:
+99:
+99: MOPAC Job: "PECI.mop" ended normally on Feb 26, 2026, at 12:45.
+99:
+ 93/124 Test #98: key-OPEN ......................... Passed 0.29 sec
+test 105
+ Start 105: key-PM6-DHplus
+
+105: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DHplus.mop"
+105: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+105: Test timeout computed to be: 10000000
+100:
+100:
+100: MOPAC Job: "PM3.mop" ended normally on Feb 26, 2026, at 12:45.
+100:
+99: WARNING: numerical heat mismatch between 7.84782 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 7.84737 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+99: WARNING: numerical mismatch between 32.83528 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.8334 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+99: WARNING: numerical heat mismatch between 8.61328 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 8.61283 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+99: WARNING: numerical mismatch between 36.03795 on reference line 401 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 36.03607 on output line 401 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+100: WARNING: numerical heat mismatch between -85.0678 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -85.06811 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+100: WARNING: numerical mismatch between -355.92369 on reference line 81 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.92497 on output line 81 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
101:
101:
-101: MOPAC Job: "PM6.mop" ended normally on Jan 23, 2025, at 04:20.
+101: MOPAC Job: "PM6.mop" ended normally on Feb 26, 2026, at 12:45.
101:
-101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 94/124 Test #100: key-PM3 .......................... Passed 0.57 sec
+ 94/124 Test #99: key-PECI ......................... Passed 0.26 sec
test 106
Start 106: key-PM6-DH2
106: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DH2.mop"
106: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
106: Test timeout computed to be: 10000000
-103:
-103:
-103: MOPAC Job: "PM6-D3H4.mop" ended normally on Jan 23, 2025, at 04:20.
-103:
-103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 95/124 Test #101: key-PM6 .......................... Passed 0.54 sec
+101: WARNING: numerical heat mismatch between -84.81192 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81223 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+101: WARNING: numerical mismatch between -354.85309 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85436 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+102:
+102:
+102: MOPAC Job: "PM6-D3.mop" ended normally on Feb 26, 2026, at 12:45.
+102:
+102: WARNING: numerical heat mismatch between -84.88111 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.88142 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+102: WARNING: numerical mismatch between -355.14258 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -355.14385 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 95/124 Test #100: key-PM3 .......................... Passed 0.25 sec
test 107
Start 107: key-PM6-DH2X
107: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM6-DH2X.mop"
107: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
107: Test timeout computed to be: 10000000
- 96/124 Test #59: poly_c8 .......................... Passed 7.32 sec
+103:
+103:
+103: MOPAC Job: "PM6-D3H4.mop" ended normally on Feb 26, 2026, at 12:45.
+103:
+103: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+103: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 96/124 Test #101: key-PM6 .......................... Passed 0.24 sec
test 108
Start 108: key-PM7
108: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM7.mop"
108: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
108: Test timeout computed to be: 10000000
- 97/124 Test #27: erratic-1 ........................ Passed 13.38 sec
+104:
+104:
+104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Feb 26, 2026, at 12:45.
+104:
+104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 97/124 Test #102: key-PM6-D3 ....................... Passed 0.26 sec
test 109
Start 109: key-PM7-TS
109: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "PM7-TS.mop"
109: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
109: Test timeout computed to be: 10000000
-105:
-105:
-105: MOPAC Job: "PM6-DHplus.mop" ended normally on Jan 23, 2025, at 04:20.
-105:
-105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 98/124 Test #103: key-PM6-D3H4 ..................... Passed 0.57 sec
+ 98/124 Test #103: key-PM6-D3H4 ..................... Passed 0.22 sec
test 110
Start 110: key-QUARTET
110: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "QUARTET.mop"
110: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
110: Test timeout computed to be: 10000000
-104:
-104:
-104: MOPAC Job: "PM6-D3H4X.mop" ended normally on Jan 23, 2025, at 04:20.
-104:
-104: WARNING: numerical heat mismatch between -84.81306 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.81336 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-104: WARNING: numerical mismatch between -354.85784 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.85911 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
- 99/124 Test #105: key-PM6-DHplus ................... Passed 0.45 sec
+105:
+105:
+105: MOPAC Job: "PM6-DHplus.mop" ended normally on Feb 26, 2026, at 12:45.
+105:
+105: WARNING: numerical heat mismatch between -84.81729 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+105: WARNING: numerical mismatch between -354.87556 on reference line 87 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 87 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+ 99/124 Test #104: key-PM6-D3H4X .................... Passed 0.23 sec
test 111
Start 111: key-QUINTET
111: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "QUINTET.mop"
111: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
111: Test timeout computed to be: 10000000
-106:
-106:
-106: MOPAC Job: "PM6-DH2.mop" ended normally on Jan 23, 2025, at 04:20.
-106:
-106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-100/124 Test #104: key-PM6-D3H4X .................... Passed 0.59 sec
+100/124 Test #105: key-PM6-DHplus ................... Passed 0.23 sec
test 112
Start 112: key-RHF
112: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "RHF.mop"
112: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
112: Test timeout computed to be: 10000000
-101/124 Test #106: key-PM6-DH2 ...................... Passed 0.49 sec
-test 113
- Start 113: key-RM1
-
-113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "RM1.mop"
-113: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-113: Test timeout computed to be: 10000000
+106:
+106:
+106: MOPAC Job: "PM6-DH2.mop" ended normally on Feb 26, 2026, at 12:45.
+106:
+106: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+106: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
107:
107:
-107: MOPAC Job: "PM6-DH2X.mop" ended normally on Jan 23, 2025, at 04:20.
+107: MOPAC Job: "PM6-DH2X.mop" ended normally on Feb 26, 2026, at 12:45.
107:
107: WARNING: numerical heat mismatch between -84.81729 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.8176 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
107: WARNING: numerical mismatch between -354.87556 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -354.87683 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
108:
108:
-108: MOPAC Job: "PM7.mop" ended normally on Jan 23, 2025, at 04:20.
+108: MOPAC Job: "PM7.mop" ended normally on Feb 26, 2026, at 12:45.
108:
+108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+101/124 Test #106: key-PM6-DH2 ...................... Passed 0.25 sec
+test 113
+ Start 113: key-RM1
+
+113: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "RM1.mop"
+113: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+113: Test timeout computed to be: 10000000
109:
109:
-109: MOPAC Job: "PM7-TS.mop" ended normally on Jan 23, 2025, at 04:20.
+109: MOPAC Job: "PM7-TS.mop" ended normally on Feb 26, 2026, at 12:45.
109:
-109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-108: WARNING: numerical heat mismatch between -84.51541 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -84.51572 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-108: WARNING: numerical mismatch between -353.61248 on reference line 82 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -353.61376 on output line 82 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-102/124 Test #107: key-PM6-DH2X ..................... Passed 0.54 sec
+102/124 Test #107: key-PM6-DH2X ..................... Passed 0.24 sec
test 114
Start 114: key-ROOT
114: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "ROOT.mop"
114: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
114: Test timeout computed to be: 10000000
-103/124 Test #109: key-PM7-TS ....................... Passed 0.52 sec
+109: WARNING: numerical heat mismatch between -40.84667 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -40.84694 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+109: WARNING: numerical mismatch between -170.90245 on reference line 70 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -170.90361 on output line 70 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+110:
+110:
+110: MOPAC Job: "QUARTET.mop" ended normally on Feb 26, 2026, at 12:45.
+110:
+112:
+112:
+112: MOPAC Job: "RHF.mop" ended normally on Feb 26, 2026, at 12:45.
+112:
+103/124 Test #108: key-PM7 .......................... Passed 0.28 sec
test 115
Start 115: key-SEPTET
115: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SEPTET.mop"
115: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
115: Test timeout computed to be: 10000000
-110:
-110:
-110: MOPAC Job: "QUARTET.mop" ended normally on Jan 23, 2025, at 04:20.
-110:
111:
111:
-111: MOPAC Job: "QUINTET.mop" ended normally on Jan 23, 2025, at 04:20.
+111: MOPAC Job: "QUINTET.mop" ended normally on Feb 26, 2026, at 12:45.
111:
110: WARNING: numerical heat mismatch between 126.90707 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 126.90725 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
110: WARNING: numerical mismatch between 530.97919 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 530.97994 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3803,16 +3843,9 @@
110: WARNING: numerical mismatch between 523.84776 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
110: WARNING: numerical heat mismatch between 125.20262 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 125.20272 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
110: WARNING: numerical mismatch between 523.84776 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 523.84819 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-113:
-113:
-113: MOPAC Job: "RM1.mop" ended normally on Jan 23, 2025, at 04:20.
-113:
-113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-112:
-112:
-112: MOPAC Job: "RHF.mop" ended normally on Jan 23, 2025, at 04:20.
-112:
+112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
111: WARNING: numerical heat mismatch between 704.89987 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
111: WARNING: numerical mismatch between 2949.30106 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2949.30352 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
111: WARNING: numerical heat mismatch between 704.89987 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 704.90046 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3821,64 +3854,67 @@
111: WARNING: numerical mismatch between 2963.76706 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
111: WARNING: numerical heat mismatch between 708.35733 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 708.35793 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
111: WARNING: numerical mismatch between 2963.76706 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 2963.76957 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-112: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-112: WARNING: numerical mismatch between -259.13834 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.1388 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-112: WARNING: numerical mismatch between 32.92723 on reference line 230 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 32.92687 on output line 230 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-104/124 Test #108: key-PM7 .......................... Passed 0.67 sec
+104/124 Test #109: key-PM7-TS ....................... Passed 0.28 sec
test 116
Start 116: key-SEXTET
116: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SEXTET.mop"
116: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
116: Test timeout computed to be: 10000000
-105/124 Test #113: key-RM1 .......................... Passed 0.28 sec
+105/124 Test #112: key-RHF .......................... Passed 0.22 sec
test 117
Start 117: key-SINGLET
117: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SINGLET.mop"
117: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
117: Test timeout computed to be: 10000000
-106/124 Test #112: key-RHF .......................... Passed 0.38 sec
+113:
+113:
+113: MOPAC Job: "RM1.mop" ended normally on Feb 26, 2026, at 12:45.
+113:
+106/124 Test #110: key-QUARTET ...................... Passed 0.31 sec
+107/124 Test #111: key-QUINTET ...................... Passed 0.28 sec
test 118
Start 118: key-SNAP
118: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SNAP.mop"
118: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
118: Test timeout computed to be: 10000000
-107/124 Test #110: key-QUARTET ...................... Passed 0.66 sec
test 119
Start 119: key-SYMMETRY
119: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "SYMMETRY.mop"
119: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
119: Test timeout computed to be: 10000000
-108/124 Test #111: key-QUINTET ...................... Passed 0.63 sec
+113: WARNING: numerical heat mismatch between -81.55398 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -81.55429 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+113: WARNING: numerical mismatch between -341.22185 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -341.22315 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+108/124 Test #113: key-RM1 .......................... Passed 0.22 sec
test 120
Start 120: key-TDIP
120: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "TDIP.mop"
120: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
120: Test timeout computed to be: 10000000
-118:
-118:
-118: MOPAC Job: "SNAP.mop" ended normally on Jan 23, 2025, at 04:20.
-118:
-118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115:
+115:
+115: MOPAC Job: "SEPTET.mop" ended normally on Feb 26, 2026, at 12:45.
+115:
116:
116:
-116: MOPAC Job: "SEXTET.mop" ended normally on Jan 23, 2025, at 04:20.
+116: MOPAC Job: "SEXTET.mop" ended normally on Feb 26, 2026, at 12:45.
116:
-117:
-117:
-117: MOPAC Job: "SINGLET.mop" ended normally on Jan 23, 2025, at 04:20.
-117:
-117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44237 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44237 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118:
+118:
+118: MOPAC Job: "SNAP.mop" ended normally on Feb 26, 2026, at 12:45.
+118:
116: WARNING: numerical heat mismatch between 1352.10281 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
116: WARNING: numerical mismatch between 5657.19815 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.2028 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
116: WARNING: numerical heat mismatch between 1352.10281 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.10392 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3887,35 +3923,54 @@
116: WARNING: numerical mismatch between 5657.55001 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
116: WARNING: numerical heat mismatch between 1352.1869 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1352.18802 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
116: WARNING: numerical mismatch between 5657.55001 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5657.55466 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-109/124 Test #118: key-SNAP ......................... Passed 0.48 sec
+118: WARNING: numerical heat mismatch between -14.37282 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.37315 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118: WARNING: numerical mismatch between -60.13588 on reference line 75 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13724 on output line 75 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118: WARNING: numerical heat mismatch between -14.37287 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118: WARNING: numerical mismatch between -60.13611 on reference line 227 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 227 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118: WARNING: numerical heat mismatch between -14.37287 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -14.3732 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+118: WARNING: numerical mismatch between -60.13611 on reference line 378 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -60.13747 on output line 378 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+109/124 Test #115: key-SEPTET ....................... Passed 0.29 sec
test 121
Start 121: key-TRIPLET
121: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "TRIPLET.mop"
121: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
121: Test timeout computed to be: 10000000
-119:
-119:
-119: MOPAC Job: "SYMMETRY.mop" ended normally on Jan 23, 2025, at 04:20.
-119:
-110/124 Test #117: key-SINGLET ...................... Passed 0.55 sec
+120:
+120:
+120: MOPAC Job: "TDIP.mop" ended normally on Feb 26, 2026, at 12:45.
+120:
+110/124 Test #116: key-SEXTET ....................... Passed 0.28 sec
test 122
Start 122: key-UHF
122: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "UHF.mop"
122: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
122: Test timeout computed to be: 10000000
-120:
-120:
-120: MOPAC Job: "TDIP.mop" ended normally on Jan 23, 2025, at 04:20.
-120:
-111/124 Test #116: key-SEXTET ....................... Passed 0.58 sec
+111/124 Test #118: key-SNAP ......................... Passed 0.24 sec
test 123
Start 123: key-WRTCI
123: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "WRTCI.mop"
123: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
123: Test timeout computed to be: 10000000
+117:
+117:
+117: MOPAC Job: "SINGLET.mop" ended normally on Feb 26, 2026, at 12:45.
+117:
+112/124 Test #120: key-TDIP ......................... Passed 0.22 sec
+test 124
+ Start 124: key-WRTCONF
+
+124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "WRTCONF.mop"
+124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
+124: Test timeout computed to be: 10000000
+117: WARNING: numerical mismatch between -35.54835 on reference line 85 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -35.54877 on output line 85 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+117: WARNING: numerical mismatch between 59.76507 on reference line 273 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 59.76473 on output line 273 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+119:
+119:
+119: MOPAC Job: "SYMMETRY.mop" ended normally on Feb 26, 2026, at 12:45.
+119:
119: WARNING: numerical heat mismatch between 16.84931 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 16.84886 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
119: WARNING: numerical mismatch between 70.49749 on reference line 98 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 70.49565 on output line 98 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
119: WARNING: numerical heat mismatch between 13.85544 on reference line 293 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 13.855 on output line 293 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3926,44 +3981,19 @@
119: WARNING: numerical mismatch between 280.41882 on reference line 637 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 280.41805 on output line 637 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
119: WARNING: numerical heat mismatch between 66.85441 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 66.85422 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
119: WARNING: numerical mismatch between 279.71884 on reference line 805 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 279.71807 on output line 805 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115:
-115:
-115: MOPAC Job: "SEPTET.mop" ended normally on Jan 23, 2025, at 04:20.
-115:
-115: WARNING: numerical heat mismatch between 1293.36484 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical mismatch between 5411.43848 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical heat mismatch between 1293.36484 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1293.3659 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical mismatch between 5411.43848 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5411.44291 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical heat mismatch between 1298.14481 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical mismatch between 5431.4379 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44237 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical heat mismatch between 1298.14481 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 1298.14588 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-115: WARNING: numerical mismatch between 5431.4379 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 5431.44237 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-112/124 Test #120: key-TDIP ......................... Passed 0.54 sec
-test 124
- Start 124: key-WRTCONF
-
-124: Test command: /usr/bin/python3 "/build/reproducible-path/mopac-23.0.3/tests/run_test.py" "/build/reproducible-path/mopac-23.0.3/tests/keywords" "/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac" "0.01" "WRTCONF.mop"
-124: Working Directory: /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/tests/keywords
-124: Test timeout computed to be: 10000000
-113/124 Test #119: key-SYMMETRY ..................... Passed 0.63 sec
-114/124 Test #115: key-SEPTET ....................... Passed 0.90 sec
+113/124 Test #117: key-SINGLET ...................... Passed 0.36 sec
+114/124 Test #119: key-SYMMETRY ..................... Passed 0.37 sec
122:
122:
-122: MOPAC Job: "UHF.mop" ended normally on Jan 23, 2025, at 04:20.
+122: MOPAC Job: "UHF.mop" ended normally on Feb 26, 2026, at 12:45.
122:
-122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-123:
-123:
-123: MOPAC Job: "WRTCI.mop" ended normally on Jan 23, 2025, at 04:20.
-123:
-115/124 Test #122: key-UHF .......................... Passed 0.34 sec
-116/124 Test #123: key-WRTCI ........................ Passed 0.44 sec
121:
121:
-121: MOPAC Job: "TRIPLET.mop" ended normally on Jan 23, 2025, at 04:20.
+121: MOPAC Job: "TRIPLET.mop" ended normally on Feb 26, 2026, at 12:46.
121:
+122: WARNING: numerical heat mismatch between -61.93555 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -61.93566 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+122: WARNING: numerical mismatch between -259.13836 on reference line 80 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -259.13882 on output line 80 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+122: WARNING: numerical mismatch between 30.36323 on reference line 244 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 30.36287 on output line 244 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
121: WARNING: numerical heat mismatch between 93.14412 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
121: WARNING: numerical mismatch between 389.71498 on reference line 73 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 389.71545 on output line 73 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
121: WARNING: numerical heat mismatch between 93.14412 on reference line 222 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 93.14423 on output line 222 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -3972,33 +4002,39 @@
121: WARNING: numerical mismatch between 393.55788 on reference line 374 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 374 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
121: WARNING: numerical heat mismatch between 94.06259 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 94.0627 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
121: WARNING: numerical mismatch between 393.55788 on reference line 535 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 393.55834 on output line 535 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+123:
+123:
+123: MOPAC Job: "WRTCI.mop" ended normally on Feb 26, 2026, at 12:46.
+123:
+115/124 Test #122: key-UHF .......................... Passed 0.22 sec
+116/124 Test #121: key-TRIPLET ...................... Passed 0.26 sec
124:
124:
-124: MOPAC Job: "WRTCONF.mop" ended normally on Jan 23, 2025, at 04:20.
+124: MOPAC Job: "WRTCONF.mop" ended normally on Feb 26, 2026, at 12:46.
124:
-117/124 Test #121: key-TRIPLET ...................... Passed 0.74 sec
-118/124 Test #124: key-WRTCONF ...................... Passed 0.58 sec
+117/124 Test #123: key-WRTCI ........................ Passed 0.27 sec
+118/124 Test #124: key-WRTCONF ...................... Passed 0.26 sec
82:
82:
-82: MOPAC Job: "CISDT.mop" ended normally on Jan 23, 2025, at 04:20.
+82: MOPAC Job: "CISDT.mop" ended normally on Feb 26, 2026, at 12:46.
82:
82: WARNING: numerical heat mismatch between 6.52314 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.52269 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
82: WARNING: numerical mismatch between 27.29281 on reference line 78 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.29093 on output line 78 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
82: WARNING: numerical heat mismatch between 6.58382 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 6.58337 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
82: WARNING: numerical mismatch between 27.54671 on reference line 1857 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 27.54483 on output line 1857 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-119/124 Test #82: key-CISDT ........................ Passed 7.19 sec
+119/124 Test #82: key-CISDT ........................ Passed 2.99 sec
60:
60:
-60: MOPAC Job: "poly_c8_mr.mop" ended normally on Jan 23, 2025, at 04:20.
+60: MOPAC Job: "poly_c8_mr.mop" ended normally on Feb 26, 2026, at 12:46.
60:
-120/124 Test #60: poly_c8_mr ....................... Passed 16.48 sec
+120/124 Test #60: poly_c8_mr ....................... Passed 5.93 sec
1:
1:
-1: MOPAC Job: "port.mop" ended normally on Jan 23, 2025, at 04:20.
+1: MOPAC Job: "port.mop" ended normally on Feb 26, 2026, at 12:46.
1:
114:
114:
-114: MOPAC Job: "ROOT.mop" ended normally on Jan 23, 2025, at 04:20.
+114: MOPAC Job: "ROOT.mop" ended normally on Feb 26, 2026, at 12:46.
114:
114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -4014,7 +4050,6 @@
114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-121/124 Test #114: key-ROOT ......................... Passed 17.51 sec
1: WARNING: numerical mismatch between 0.00060287 on reference line 52884 in /build/reproducible-path/mopac-23.0.3/tests and 1.9631 on output line 52887 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 0.000614315 on reference line 52885 in /build/reproducible-path/mopac-23.0.3/tests and 16.9805 on output line 52888 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 18.676412 on reference line 52887 in /build/reproducible-path/mopac-23.0.3/tests and 16.980531 on output line 52890 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -4242,6 +4277,7 @@
1: WARNING: numerical mismatch between 16.41536 on reference line 53199 in /build/reproducible-path/mopac-23.0.3/tests and 15.72447 on output line 53202 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 2.4325 on reference line 53199 in /build/reproducible-path/mopac-23.0.3/tests and 2.33013 on output line 53202 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between -225.85785 on reference line 53205 in /build/reproducible-path/mopac-23.0.3/tests and -30.26413 on output line 53208 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
+121/124 Test #114: key-ROOT ......................... Passed 9.40 sec
1: WARNING: numerical mismatch between 399.44204 on reference line 53206 in /build/reproducible-path/mopac-23.0.3/tests and 300.04506 on output line 53209 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between -7.01193 on reference line 53207 in /build/reproducible-path/mopac-23.0.3/tests and -0.77701 on output line 53210 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 278.34563 on reference line 53208 in /build/reproducible-path/mopac-23.0.3/tests and 247.44157 on output line 53211 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
@@ -5895,21 +5931,21 @@
1: WARNING: numerical mismatch between 2.198131 on reference line 103843 in /build/reproducible-path/mopac-23.0.3/tests and 2.198257 on output line 103851 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 5.8019 on reference line 103843 in /build/reproducible-path/mopac-23.0.3/tests and 5.8017 on output line 103851 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
1: WARNING: numerical mismatch between 3.39311 on reference line 103843 in /build/reproducible-path/mopac-23.0.3/tests and 3.39299 on output line 103851 in /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/mopac
-122/124 Test #1: port ............................. Passed 37.46 sec
+122/124 Test #1: port ............................. Passed 15.83 sec
3:
3:
-3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Jan 23, 2025, at 04:20.
+3: MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Feb 26, 2026, at 12:46.
3:
-123/124 Test #3: mozyme ........................... Passed 54.05 sec
+123/124 Test #3: mozyme ........................... Passed 24.91 sec
2:
2:
-2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Jan 23, 2025, at 04:21.
+2: MOPAC Job: "Crambin_1SCF.mop" ended normally on Feb 26, 2026, at 12:46.
2:
-124/124 Test #2: crambin .......................... Passed 83.07 sec
+124/124 Test #2: crambin .......................... Passed 35.55 sec
100% tests passed, 0 tests failed out of 124
-Total Test time (real) = 83.17 sec
+Total Test time (real) = 35.58 sec
make[1]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
create-stamp debian/debhelper-build-stamp
fakeroot debian/rules binary
@@ -5936,32 +5972,32 @@
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Nothing to be done for 'CMakeFiles/mopac-makpol.dir/build'.
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+[ 6%] Built target mopac-makpol
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make -f CMakeFiles/mopac-core.dir/build.make CMakeFiles/mopac-core.dir/build
-[ 6%] Built target mopac-makpol
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Nothing to be done for 'CMakeFiles/mopac-core.dir/build'.
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
[ 98%] Built target mopac-core
make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/depend
-make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color="
make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/depend
make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/depend
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color="
+cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac.dir/DependInfo.cmake "--color="
+make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-param.dir/DependInfo.cmake "--color="
cd /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3 /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu /build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu/CMakeFiles/mopac-api-test.dir/DependInfo.cmake "--color="
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make -f CMakeFiles/mopac.dir/build.make CMakeFiles/mopac.dir/build
+make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
+make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'.
+make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make -f CMakeFiles/mopac-param.dir/build.make CMakeFiles/mopac-param.dir/build
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make -f CMakeFiles/mopac-api-test.dir/build.make CMakeFiles/mopac-api-test.dir/build
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-make[4]: Nothing to be done for 'CMakeFiles/mopac.dir/build'.
-make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
-make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Nothing to be done for 'CMakeFiles/mopac-param.dir/build'.
make[4]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
make[4]: Entering directory '/build/reproducible-path/mopac-23.0.3/obj-aarch64-linux-gnu'
@@ -6010,8 +6046,8 @@
dh_gencontrol
dh_md5sums
dh_builddeb
-dpkg-deb: building package 'mopac-dbgsym' in '../mopac-dbgsym_23.0.3-1_arm64.deb'.
dpkg-deb: building package 'mopac' in '../mopac_23.0.3-1_arm64.deb'.
+dpkg-deb: building package 'mopac-dbgsym' in '../mopac-dbgsym_23.0.3-1_arm64.deb'.
dpkg-genbuildinfo --build=binary -O../mopac_23.0.3-1_arm64.buildinfo
dpkg-genchanges --build=binary -O../mopac_23.0.3-1_arm64.changes
dpkg-genchanges: info: binary-only upload (no source code included)
@@ -6019,12 +6055,14 @@
dpkg-buildpackage: info: binary-only upload (no source included)
dpkg-genchanges: info: including full source code in upload
I: copying local configuration
+I: user script /srv/workspace/pbuilder/296953/tmp/hooks/B01_cleanup starting
+I: user script /srv/workspace/pbuilder/296953/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/592686 and its subdirectories
-I: Current time: Thu Jan 23 04:21:34 -12 2025
-I: pbuilder-time-stamp: 1737649294
+I: removing directory /srv/workspace/pbuilder/296953 and its subdirectories
+I: Current time: Thu Feb 26 12:46:39 +14 2026
+I: pbuilder-time-stamp: 1772059599